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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_27/freeze.log

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main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_27.xyz
read_input> Finish reading initial positions
read_input> Validating positions
read_input> Initializing random number generator
read_input> Checking program
read_rgl> START READING FILE ../pot.pot
read_rgl>> END READING FILE ../pot.pot
READ_RGL>> atomic speciesAgAg imet1 4 imet2 4
READ_RGL>> atomic radius 1.4450000999999999 1.4450000999999999
read_rgl> PARAMETERS SELECTION
FOR IMET1 :: Ag 4
ECOH :: 2.9500000000000002 A :: 0.10308871000000000 QSI :: 1.1895434899999999
p :: 10.850000000000000 q :: 3.1800000000000002
ATOMIC RADIUS :: 1.4450000999999999
choice_pot> values:
frac = 0.12062503764379931 arete = 4.0870774781009569
choice_pot> mass is== 108.00000000000000 for elem1=
read_input> ntipo1 = 27 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1400
main_MD> Size of nv and nvoiz: 27 2700
main_MD> Size of nv and nvoiz: 27 2700
main_MD> Number of time-steps (npas) = 50000
main_MD> Number of CVs (num_cv) = 1
main_MD> Max allowed number of atoms = 2900
main_MD> Max number of atoms = 27
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> -7.9246225501600681E-002 -9.8395550627588309E-003 0.10187055412093544 initial drift of cluster / NP1 for coalescence
init> 0.29798264200529523 0.37717127558815905 0.26912008583975483 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.4356790891402690E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.81973 -2.40505 1.66770
force_rgl> df(natom) 1.20007 -0.24447 0.80533
preparo> THERMALIZATION PROCESS AT 1025.9373875384376
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -57.507481311566181 3.5838525479851655 -61.091333859551348 5.5144021386770148E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 28
FREEZING PROCESS: loop number 1 T-loop= 999.00000000000000
main_MD> interactions number 1 at Temperature= 999.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.62164 -0.32645 -1.16095
force_rgl> df(natom) -0.83474 0.73338 -0.15078
5.0000 -61.93194 -57.78586 4.14608 2.45328 -57.57050 1074.49530
10.0000 -62.10198 -58.69667 3.40531 2.34995 -58.50042 975.93066
15.0000 -61.23014 -57.83432 3.39582 2.31255 -58.83706 887.40985
20.0000 -61.35675 -57.21198 4.14476 2.49385 -57.20531 1109.60855
25.0000 -61.38709 -57.08870 4.29839 2.51298 -57.03321 1139.09316
30.0000 -61.60065 -57.50918 4.09147 2.49849 -57.16357 1151.07135
35.0000 -61.72196 -58.74874 2.97322 2.36388 -58.37512 940.46286
40.0000 -61.97689 -58.18304 3.79385 2.33685 -58.61836 985.42504
45.0000 -62.59824 -59.33954 3.25870 2.34535 -58.54183 970.83577
50.0000 -61.39689 -58.47977 2.91712 2.34316 -58.56160 946.22145
55.0000 -60.48752 -56.49447 3.99305 2.47376 -57.38615 1100.89753
60.0000 -61.30284 -57.67214 3.63069 2.54283 -56.76453 1093.28800
65.0000 -60.96536 -57.58863 3.37673 2.50498 -57.10521 1072.07031
70.0000 -61.25938 -57.49938 3.76000 2.45801 -57.52793 1013.07374
75.0000 -61.94107 -58.06014 3.88093 2.40275 -58.02526 1009.26710
80.0000 -61.27376 -58.42412 2.84964 2.32230 -58.74934 894.37335
85.0000 -61.30141 -58.12324 3.17817 2.34802 -58.51783 982.19730
90.0000 -60.98006 -57.21442 3.76565 2.47610 -57.36512 1072.68548
95.0000 -61.17666 -56.89092 4.28574 2.51258 -57.03681 1133.06896
100.0000 -60.02886 -56.26155 3.76732 2.60968 -56.16292 1192.64361
105.0000 -60.78406 -57.21851 3.56555 2.58221 -56.41014 1174.52993
110.0000 -61.07030 -57.46657 3.60373 2.49462 -57.19842 1084.53462
115.0000 -61.34892 -56.92422 4.42471 2.44860 -57.61262 1078.73902
120.0000 -61.69986 -57.96707 3.73279 2.46469 -57.46777 1041.08297
125.0000 -61.01470 -56.99012 4.02458 2.41497 -57.91525 1019.05576
130.0000 -60.45954 -57.22059 3.23895 2.48465 -57.28819 1078.43231
135.0000 -60.11398 -56.21162 3.90236 2.58173 -56.41446 1161.80012
140.0000 -61.91460 -58.35262 3.56198 2.43590 -57.72689 1056.36697
145.0000 -61.04588 -57.56440 3.48149 2.44274 -57.66531 1044.15736
150.0000 -61.21484 -58.23881 2.97602 2.39316 -58.11155 1008.64860
155.0000 -61.81840 -57.58728 4.23111 2.49495 -57.19548 1093.05145
160.0000 -62.95937 -59.15196 3.80741 2.40616 -57.99458 1028.06112
165.0000 -62.17502 -59.25406 2.92096 2.29071 -59.03361 886.67010
170.0000 -61.82651 -59.16310 2.66341 2.24480 -59.44680 885.72322
175.0000 -61.42168 -58.76763 2.65405 2.28018 -59.12839 879.62568
180.0000 -61.73006 -58.53773 3.19233 2.35390 -58.46491 989.38939
185.0000 -62.38581 -57.62447 4.76134 2.33458 -58.63882 968.00748
190.0000 -59.92585 -55.90964 4.01622 2.55071 -56.69362 1150.65876
195.0000 -62.13007 -58.67301 3.45706 2.46990 -57.42090 1017.87992
200.0000 -61.38152 -57.77776 3.60375 2.41371 -57.92657 1008.75884
205.0000 -62.46482 -58.93009 3.53473 2.36197 -58.39228 981.79450
210.0000 -61.22916 -57.86012 3.36904 2.32037 -58.76667 954.65355
215.0000 -60.98001 -58.29304 2.68698 2.43438 -57.74058 1045.61650
220.0000 -62.61863 -58.26949 4.34914 2.36390 -58.37492 1008.98694
225.0000 -61.40111 -58.22043 3.18068 2.33814 -58.60675 975.15355
230.0000 -61.03242 -57.38492 3.64750 2.40885 -57.97039 1003.15712
235.0000 -61.75416 -58.83942 2.91475 2.37278 -58.29497 961.89313
240.0000 -63.23778 -60.43706 2.80072 2.24763 -59.42131 886.81966
245.0000 -62.64879 -59.64183 3.00696 2.16278 -60.18494 857.41500
250.0000 -61.78915 -58.34836 3.44080 2.27698 -59.15721 949.43334
FREEZING PROCESS: loop number 2 T-loop= 974.00000000000000
main_MD> interactions number 2 at Temperature= 974.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.74817 0.15853 5.67772
force_rgl> df(natom) -0.67209 -1.83557 0.04019
255.0000 -60.98951 -57.60099 3.38852 2.40672 -57.98950 1056.72391
260.0000 -61.23556 -58.26120 2.97436 2.43334 -57.74996 1107.58590
265.0000 -61.18523 -58.03913 3.14611 2.41515 -57.91361 1012.50075
270.0000 -61.46974 -57.75719 3.71256 2.40928 -57.96652 989.26809
275.0000 -59.79993 -56.79844 3.00150 2.52350 -56.93849 1152.63398
280.0000 -60.99894 -57.24140 3.75754 2.46558 -57.45978 1034.57519
285.0000 -61.40000 -58.33176 3.06824 2.42649 -57.81159 1038.61389
290.0000 -61.84078 -59.19292 2.64786 2.28348 -59.09869 869.07112
295.0000 -61.71653 -58.00473 3.71180 2.39586 -58.08730 957.49623
300.0000 -61.79622 -57.80198 3.99424 2.43085 -57.77233 1023.42510
305.0000 -61.71082 -58.18660 3.52422 2.36519 -58.36330 964.02005
310.0000 -62.44051 -59.98693 2.45358 2.34881 -58.51073 907.91308
315.0000 -61.84185 -58.54143 3.30041 2.28425 -59.09178 902.47719
320.0000 -62.04499 -58.64050 3.40449 2.31549 -58.81060 954.67414
325.0000 -61.64419 -58.56303 3.08116 2.38039 -58.22650 950.49608
330.0000 -61.47437 -58.25064 3.22373 2.37299 -58.29306 1010.33938
335.0000 -61.77285 -58.64037 3.13248 2.33642 -58.62225 975.97853
340.0000 -61.97645 -58.49876 3.47769 2.37111 -58.30999 988.39330
345.0000 -62.24383 -58.07622 4.16761 2.38772 -58.16051 1012.98016
350.0000 -62.04558 -58.51873 3.52685 2.36664 -58.35026 975.70603
355.0000 -62.57842 -58.67498 3.90344 2.35870 -58.42167 956.09122
360.0000 -61.99683 -59.53086 2.46597 2.21238 -59.73860 830.31374
365.0000 -61.88298 -58.61023 3.27275 2.26576 -59.25816 892.74548
370.0000 -61.31528 -57.90261 3.41267 2.36574 -58.35832 997.33306
375.0000 -61.98287 -58.67006 3.31282 2.40530 -58.00234 993.33123
380.0000 -61.57527 -57.83890 3.73637 2.34415 -58.55269 983.37141
385.0000 -61.80224 -56.63901 5.16323 2.45604 -57.54564 1051.24022
390.0000 -61.34699 -57.28796 4.05903 2.48486 -57.28623 1100.56286
395.0000 -59.93939 -56.45845 3.48094 2.53714 -56.81575 1148.41491
400.0000 -60.39551 -57.10290 3.29262 2.48572 -57.27852 1058.64944
405.0000 -62.41136 -59.05815 3.35321 2.41046 -57.95586 1053.77060
410.0000 -61.41372 -58.56191 2.85181 2.28702 -59.06681 895.51797
415.0000 -61.20978 -56.12031 5.08947 2.41945 -57.87491 1074.50056
420.0000 -61.23292 -57.37733 3.85560 2.45401 -57.56393 1138.99122
425.0000 -60.62610 -56.31119 4.31490 2.57713 -56.45586 1086.86393
430.0000 -61.11257 -57.70570 3.40687 2.49270 -57.21574 1076.04804
435.0000 -62.20261 -58.66715 3.53546 2.45457 -57.55883 1081.00561
440.0000 -61.24651 -58.43838 2.80813 2.34614 -58.53474 929.50625
445.0000 -61.98672 -57.84844 4.13827 2.40307 -58.02237 1024.10661
450.0000 -61.89073 -58.46610 3.42463 2.39871 -58.06160 1070.26726
455.0000 -61.29190 -58.48968 2.80223 2.30951 -58.86438 970.51781
460.0000 -61.58118 -59.21015 2.37103 2.30671 -58.88957 939.53671
465.0000 -63.02070 -60.23432 2.78637 2.21988 -59.67110 846.08202
470.0000 -62.76607 -59.54337 3.22270 2.24272 -59.46555 896.95716
475.0000 -61.39764 -58.30530 3.09234 2.25264 -59.37627 854.97216
480.0000 -59.16834 -55.78834 3.37999 2.53255 -56.85704 1177.02939
485.0000 -61.77909 -58.94634 2.83275 2.43546 -57.73090 1070.25750
490.0000 -61.12469 -58.10368 3.02101 2.36826 -58.33562 951.15662
495.0000 -60.85253 -57.47849 3.37404 2.36075 -58.40326 985.74628
500.0000 -61.70297 -58.22268 3.48029 2.33547 -58.63077 943.90079
FREEZING PROCESS: loop number 3 T-loop= 949.00000000000000
main_MD> interactions number 3 at Temperature= 949.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.89254 -0.29462 -1.03523
force_rgl> df(natom) -0.15140 -0.31433 2.99203
505.0000 -62.41613 -59.40078 3.01535 2.31543 -58.81109 889.58342
510.0000 -62.17231 -58.65329 3.51901 2.23683 -59.51850 873.99350
515.0000 -62.10383 -58.12685 3.97698 2.31064 -58.85426 904.28627
520.0000 -61.88612 -58.33001 3.55610 2.41295 -57.93347 1051.39865
525.0000 -62.38441 -59.15370 3.23071 2.34802 -58.51784 993.99491
530.0000 -61.48197 -58.34498 3.13699 2.35861 -58.42251 988.38378
535.0000 -61.55762 -57.80824 3.74939 2.40817 -57.97644 996.93325
540.0000 -61.01753 -57.11129 3.90624 2.51063 -57.05430 1085.93470
545.0000 -61.78292 -58.53448 3.24843 2.36293 -58.38363 950.02230
550.0000 -62.37406 -58.69928 3.67478 2.35018 -58.49834 1011.80433
555.0000 -62.41263 -58.62622 3.78641 2.36319 -58.38133 1024.38352
560.0000 -61.43564 -57.73468 3.70096 2.32308 -58.74228 892.54923
565.0000 -60.98739 -57.41217 3.57522 2.40903 -57.96870 980.95236
570.0000 -61.59347 -58.35122 3.24225 2.38778 -58.16001 1016.22071
575.0000 -61.29451 -57.81908 3.47543 2.37083 -58.31255 976.38175
580.0000 -61.78190 -58.15909 3.62281 2.36754 -58.34215 975.13558
585.0000 -63.10692 -58.74326 4.36366 2.35102 -58.49085 976.10384
590.0000 -63.39380 -59.85314 3.54066 2.24375 -59.45625 827.54536
595.0000 -62.02535 -58.46245 3.56289 2.28431 -59.09123 915.07506
600.0000 -62.48885 -59.04910 3.43975 2.30802 -58.87784 955.33449
605.0000 -60.98129 -57.07934 3.90196 2.39608 -58.08532 978.52807
610.0000 -61.30480 -58.71038 2.59442 2.42401 -57.83388 1035.05306
615.0000 -61.85548 -59.18418 2.67130 2.29448 -58.99969 914.31538
620.0000 -61.50189 -58.25274 3.24915 2.37172 -58.30451 979.14893
625.0000 -62.28512 -58.69474 3.59038 2.39650 -58.08152 1017.08974
630.0000 -62.18658 -59.59704 2.58954 2.25244 -59.37801 876.27400
635.0000 -62.36480 -59.06245 3.30235 2.26606 -59.25542 910.71491
640.0000 -61.46003 -57.83613 3.62390 2.37161 -58.30551 966.14076
645.0000 -61.76510 -58.15408 3.61102 2.36375 -58.37622 949.28368
650.0000 -62.38980 -59.44268 2.94712 2.28533 -59.08207 928.50132
655.0000 -61.65545 -58.33261 3.32283 2.30284 -58.92446 936.45572
660.0000 -61.62573 -58.10756 3.51816 2.40184 -58.03347 990.38299
665.0000 -61.21075 -58.16066 3.05009 2.41876 -57.88119 1028.27677
670.0000 -61.01245 -57.55816 3.45429 2.41020 -57.95820 1027.16886
675.0000 -61.33000 -57.96901 3.36099 2.50412 -57.11293 1125.19920
680.0000 -62.52864 -58.59087 3.93777 2.34851 -58.51339 933.71717
685.0000 -61.67890 -58.14006 3.53883 2.35066 -58.49405 935.93522
690.0000 -61.85211 -57.84871 4.00339 2.39626 -58.08370 988.19197
695.0000 -62.17432 -59.10031 3.07401 2.32501 -58.72489 892.42897
700.0000 -61.83501 -59.20158 2.63343 2.27907 -59.13841 891.50921
705.0000 -62.79701 -60.23236 2.56465 2.23281 -59.55474 885.06288
710.0000 -62.32268 -59.89299 2.42968 2.18410 -59.99311 800.14696
715.0000 -62.93515 -60.24290 2.69225 2.19907 -59.85836 765.29511
720.0000 -62.82146 -60.21009 2.61136 2.17649 -60.06160 826.95620
725.0000 -62.30093 -59.28839 3.01254 2.20178 -59.83400 841.49895
730.0000 -62.51358 -59.20559 3.30799 2.25476 -59.35713 897.30933
735.0000 -61.60476 -58.71428 2.89047 2.29947 -58.95475 929.88096
740.0000 -60.82767 -57.74356 3.08411 2.41384 -57.92540 925.68288
745.0000 -61.03860 -57.90459 3.13401 2.44094 -57.68155 1056.30108
750.0000 -63.15201 -59.75630 3.39571 2.33489 -58.63600 1009.04416
FREEZING PROCESS: loop number 4 T-loop= 924.00000000000000
main_MD> interactions number 4 at Temperature= 924.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.17834 0.85195 0.70929
force_rgl> df(natom) 1.28334 -0.63566 -0.13825
755.0000 -63.11688 -59.75664 3.36024 2.16437 -60.17068 782.32241
760.0000 -62.51794 -58.81378 3.70416 2.23800 -59.50798 875.96818
765.0000 -62.25774 -59.23905 3.01869 2.22315 -59.64161 878.07174
770.0000 -61.21437 -57.90170 3.31267 2.31485 -58.81635 974.38744
775.0000 -62.47525 -59.57641 2.89883 2.29069 -59.03377 927.94735
780.0000 -62.73778 -59.75946 2.97832 2.21936 -59.67577 796.71127
785.0000 -61.89375 -59.11416 2.77959 2.24877 -59.41104 823.93056
790.0000 -62.57403 -59.39342 3.18061 2.25296 -59.37336 903.39739
795.0000 -62.42004 -57.83914 4.58090 2.33986 -58.59130 945.16200
800.0000 -61.80443 -58.64205 3.16238 2.32158 -58.75578 946.66011
805.0000 -61.33309 -58.61762 2.71548 2.36942 -58.32526 968.78090
810.0000 -62.20775 -58.82859 3.37916 2.34605 -58.53551 954.40157
815.0000 -61.64395 -58.25560 3.38835 2.37886 -58.24029 986.71670
820.0000 -61.49957 -57.57871 3.92086 2.43748 -57.71265 1016.90275
825.0000 -61.51986 -58.43967 3.08019 2.42238 -57.84861 1075.99036
830.0000 -62.08633 -59.26356 2.82277 2.27589 -59.16696 906.42917
835.0000 -61.96368 -59.28551 2.67817 2.28983 -59.04154 885.11812
840.0000 -63.07808 -59.90461 3.17348 2.23419 -59.54232 878.59136
845.0000 -61.74566 -57.94549 3.80018 2.26791 -59.23882 849.58762
850.0000 -62.63527 -59.77105 2.86422 2.29119 -59.02933 896.10483
855.0000 -62.02062 -59.29239 2.72822 2.28103 -59.12075 926.03541
860.0000 -61.95140 -58.58153 3.36987 2.25446 -59.35989 903.76444
865.0000 -63.59773 -59.75234 3.84539 2.24911 -59.40805 879.80369
870.0000 -62.23802 -59.81128 2.42674 2.16964 -60.12327 800.27011
875.0000 -62.81137 -59.36085 3.45052 2.18832 -59.95512 866.92168
880.0000 -61.94780 -58.81511 3.13269 2.24703 -59.42675 821.46216
885.0000 -62.88906 -59.68075 3.20831 2.27794 -59.14857 860.83943
890.0000 -62.42788 -59.33855 3.08933 2.27885 -59.14031 879.86800
895.0000 -61.71319 -59.31422 2.39898 2.23824 -59.50587 845.20953
900.0000 -62.33671 -58.28173 4.05498 2.31821 -58.78612 948.94157
905.0000 -62.42251 -58.70973 3.71278 2.35720 -58.43524 987.69714
910.0000 -61.63115 -58.54284 3.08830 2.33351 -58.64840 1037.22359
915.0000 -62.22072 -58.32014 3.90058 2.34252 -58.56728 968.38886
920.0000 -62.48030 -59.66124 2.81906 2.30711 -58.88599 893.29476
925.0000 -61.80442 -58.71873 3.08570 2.24101 -59.48094 840.25202
930.0000 -62.57018 -59.76149 2.80870 2.32822 -58.69604 958.83093
935.0000 -61.52665 -58.88946 2.63719 2.27146 -59.20683 884.54565
940.0000 -61.77125 -58.58471 3.18654 2.31484 -58.81646 922.32119
945.0000 -61.64045 -58.54187 3.09858 2.32810 -58.69712 957.72247
950.0000 -61.99536 -60.09924 1.89613 2.23264 -59.55626 856.67079
955.0000 -62.80111 -59.57353 3.22757 2.17525 -60.07275 767.08671
960.0000 -62.06410 -59.56972 2.49438 2.25560 -59.34957 857.41708
965.0000 -62.68963 -59.89375 2.79588 2.22879 -59.59093 854.74864
970.0000 -62.35245 -59.33435 3.01811 2.22710 -59.60612 854.08708
975.0000 -62.22103 -59.23471 2.98632 2.24903 -59.40874 844.07874
980.0000 -62.06309 -59.12522 2.93787 2.27300 -59.19300 921.10365
985.0000 -63.40781 -60.33127 3.07654 2.19615 -59.88466 849.33394
990.0000 -62.43461 -59.97283 2.46178 2.15666 -60.24003 793.65676
995.0000 -62.73699 -60.60014 2.13684 2.16771 -60.14064 757.59670
1000.0000 -63.77094 -61.25642 2.51452 2.09390 -60.80488 772.76252
FREEZING PROCESS: loop number 5 T-loop= 899.00000000000000
main_MD> interactions number 5 at Temperature= 899.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.02201 0.70442 0.33052
force_rgl> df(natom) 0.58388 0.36697 1.46354
1005.0000 -63.04029 -59.81835 3.22194 2.06942 -61.02525 759.16944
1010.0000 -62.46413 -59.72030 2.74383 2.19539 -59.89153 832.92925
1015.0000 -61.99684 -59.73570 2.26115 2.17039 -60.11650 729.02011
1020.0000 -62.44866 -59.69884 2.74982 2.21424 -59.72181 843.75202
1025.0000 -62.43094 -59.31810 3.11284 2.25191 -59.38284 878.97880
1030.0000 -61.46745 -58.79008 2.67737 2.30019 -58.94827 968.65116
1035.0000 -61.17286 -58.36096 2.81190 2.35280 -58.47479 947.79191
1040.0000 -62.70432 -59.61708 3.08724 2.30444 -58.91004 900.87708
1045.0000 -62.59442 -59.51247 3.08194 2.18381 -59.99574 815.83013
1050.0000 -63.75443 -60.08314 3.67129 2.21879 -59.68086 856.30997
1055.0000 -63.46560 -60.26943 3.19617 2.18173 -60.01439 858.80553
1060.0000 -62.97815 -59.97987 2.99828 2.13351 -60.44838 742.63171
1065.0000 -62.43620 -60.23738 2.19882 2.18868 -59.95185 816.38631
1070.0000 -62.22497 -58.49807 3.72690 2.26857 -59.23287 837.82975
1075.0000 -61.47116 -58.37751 3.09365 2.35332 -58.47008 976.82804
1080.0000 -61.90597 -58.95702 2.94895 2.38947 -58.14476 930.95713
1085.0000 -62.98758 -60.41830 2.56929 2.20749 -59.78259 836.27777
1090.0000 -62.76575 -59.92907 2.83668 2.16818 -60.13641 764.30663
1095.0000 -63.21166 -60.41374 2.79792 2.18095 -60.02143 856.37620
1100.0000 -62.64669 -60.39613 2.25056 2.12384 -60.53544 736.18448
1105.0000 -62.50626 -59.58882 2.91744 2.21900 -59.67904 908.05591
1110.0000 -62.66149 -59.58855 3.07294 2.21186 -59.74322 794.37301
1115.0000 -62.35845 -59.56627 2.79217 2.27783 -59.14957 863.52676
1120.0000 -63.05903 -59.45821 3.60082 2.23401 -59.54389 854.06465
1125.0000 -63.28839 -60.46770 2.82069 2.16257 -60.18689 772.21295
1130.0000 -63.16896 -60.45434 2.71463 2.11641 -60.60230 787.10801
1135.0000 -62.52216 -60.23462 2.28755 2.11725 -60.59473 755.17382
1140.0000 -62.52960 -59.13956 3.39004 2.20013 -59.84883 848.04316
1145.0000 -62.36804 -58.27637 4.09167 2.27010 -59.21908 940.38878
1150.0000 -63.51594 -60.16671 3.34923 2.28785 -59.05938 918.53629
1155.0000 -62.49412 -59.00503 3.48909 2.25496 -59.35540 852.49256
1160.0000 -62.96833 -59.20530 3.76303 2.26024 -59.30780 892.61042
1165.0000 -62.99712 -59.06655 3.93057 2.25515 -59.35365 885.53754
1170.0000 -61.90797 -58.33165 3.57632 2.32263 -58.74632 900.84631
1175.0000 -61.04765 -57.87283 3.17482 2.41284 -57.93444 1056.80486
1180.0000 -61.66676 -58.20593 3.46083 2.37435 -58.28087 977.84878
1185.0000 -61.58187 -57.74251 3.83936 2.39314 -58.11178 1000.35757
1190.0000 -61.61000 -56.86914 4.74086 2.49741 -57.17330 1128.43798
1195.0000 -62.68695 -58.60146 4.08549 2.43853 -57.70319 1054.52632
1200.0000 -62.46785 -59.22473 3.24312 2.27302 -59.19280 888.84780
1205.0000 -62.58290 -59.16596 3.41694 2.26938 -59.22556 876.56754
1210.0000 -62.91985 -59.45392 3.46593 2.24956 -59.40398 897.13929
1215.0000 -61.60496 -58.50728 3.09768 2.24166 -59.47508 891.38462
1220.0000 -63.30494 -59.54159 3.76335 2.27435 -59.18087 877.40811
1225.0000 -62.40268 -58.60742 3.79526 2.22674 -59.60932 823.46220
1230.0000 -61.72241 -58.74855 2.97387 2.31943 -58.77512 941.22401
1235.0000 -62.60912 -59.95091 2.65820 2.24551 -59.44042 824.96853
1240.0000 -61.41499 -58.83069 2.58429 2.27192 -59.20268 866.77564
1245.0000 -61.89332 -58.83215 3.06117 2.28791 -59.05881 889.41618
1250.0000 -62.14439 -59.13781 3.00659 2.25894 -59.31956 888.22314
FREEZING PROCESS: loop number 6 T-loop= 874.00000000000000
main_MD> interactions number 6 at Temperature= 874.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.40576 -1.47516 -2.69527
force_rgl> df(natom) 3.63868 -0.01537 0.98252
1255.0000 -61.48262 -58.65490 2.82772 2.30311 -58.92197 963.12477
1260.0000 -61.92102 -58.81229 3.10873 2.29815 -58.96664 898.73750
1265.0000 -61.66417 -58.64057 3.02359 2.31666 -58.80010 905.36614
1270.0000 -61.72578 -58.40966 3.31612 2.37100 -58.31103 935.51328
1275.0000 -61.29111 -58.18611 3.10500 2.36296 -58.38336 914.70789
1280.0000 -62.52875 -59.22126 3.30749 2.31428 -58.82149 915.00212
1285.0000 -62.26316 -59.13144 3.13172 2.29315 -59.01169 971.47850
1290.0000 -62.80454 -59.39074 3.41380 2.24263 -59.46631 877.96886
1295.0000 -62.20216 -59.29793 2.90423 2.22426 -59.63169 836.71526
1300.0000 -62.93250 -59.81705 3.11545 2.19460 -59.89856 836.25388
1305.0000 -62.43726 -60.07703 2.36024 2.18616 -59.97453 799.08957
1310.0000 -62.19181 -58.87306 3.31875 2.24956 -59.40394 814.95073
1315.0000 -62.75382 -58.86550 3.88832 2.28623 -59.07390 906.67069
1320.0000 -61.39868 -57.44150 3.95718 2.38264 -58.20620 1006.43605
1325.0000 -62.10973 -59.23483 2.87490 2.37222 -58.30000 976.07578
1330.0000 -62.80009 -59.32894 3.47115 2.26791 -59.23877 881.09665
1335.0000 -61.94039 -59.22787 2.71252 2.29408 -59.00332 919.00658
1340.0000 -61.99266 -59.19179 2.80087 2.27664 -59.16024 900.40622
1345.0000 -63.31729 -60.00651 3.31077 2.22518 -59.62337 818.93776
1350.0000 -62.41766 -59.59756 2.82010 2.20568 -59.79891 821.38941
1355.0000 -61.72344 -58.87649 2.84695 2.23126 -59.56870 859.20736
1360.0000 -62.56398 -58.49548 4.06850 2.33169 -58.66475 908.08438
1365.0000 -60.87790 -57.60543 3.27247 2.39792 -58.06871 968.40325
1370.0000 -61.66049 -57.92060 3.73990 2.40606 -57.99547 1050.77942
1375.0000 -62.19078 -58.52932 3.66146 2.31438 -58.82056 963.50863
1380.0000 -62.27230 -59.04843 3.22387 2.29424 -59.00188 914.61997
1385.0000 -62.72325 -59.66330 3.05995 2.24961 -59.40354 904.64190
1390.0000 -62.31092 -60.34788 1.96304 2.17444 -60.08001 794.55571
1395.0000 -62.73756 -60.20315 2.53441 2.17699 -60.05713 757.06773
1400.0000 -61.74803 -58.76325 2.98477 2.25503 -59.35476 866.37219
1405.0000 -63.98978 -59.82432 4.16546 2.25480 -59.35679 852.55789
1410.0000 -62.08348 -58.99832 3.08516 2.27591 -59.16677 917.30835
1415.0000 -62.13999 -59.02688 3.11311 2.38813 -58.15682 970.79216
1420.0000 -62.79295 -59.30668 3.48628 2.28883 -59.05055 940.79879
1425.0000 -62.48686 -59.27135 3.21550 2.25455 -59.35907 866.47206
1430.0000 -62.72991 -59.77619 2.95372 2.19771 -59.87059 839.11212
1435.0000 -62.53833 -59.56155 2.97678 2.27382 -59.18560 914.26391
1440.0000 -62.78895 -60.04700 2.74195 2.20729 -59.78443 845.29517
1445.0000 -62.29988 -59.28320 3.01668 2.30728 -58.88451 936.20565
1450.0000 -62.08156 -59.41331 2.66825 2.22383 -59.63557 826.75953
1455.0000 -62.62087 -59.68278 2.93809 2.19865 -59.86217 816.91884
1460.0000 -63.35927 -60.19447 3.16479 2.23162 -59.56540 860.23217
1465.0000 -62.78204 -59.19724 3.58480 2.16568 -60.15889 788.25377
1470.0000 -61.92173 -58.68116 3.24057 2.28674 -59.06937 908.78040
1475.0000 -61.87043 -59.31207 2.55836 2.33076 -58.67313 918.49302
1480.0000 -61.78464 -59.63676 2.14788 2.24490 -59.44590 829.03796
1485.0000 -62.32520 -58.20889 4.11631 2.30437 -58.91069 908.79330
1490.0000 -62.31364 -59.39674 2.91690 2.36946 -58.32487 967.93729
1495.0000 -62.63404 -59.14575 3.48830 2.27867 -59.14200 889.96014
1500.0000 -62.35495 -59.68700 2.66795 2.20339 -59.81953 845.54741
FREEZING PROCESS: loop number 7 T-loop= 849.00000000000000
main_MD> interactions number 7 at Temperature= 849.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.19406 1.32216 1.00605
force_rgl> df(natom) 1.17172 3.68252 -2.12974
1505.0000 -60.51886 -57.26107 3.25780 2.35621 -58.44415 941.02807
1510.0000 -62.60873 -59.21044 3.39830 2.36839 -58.33446 967.15970
1515.0000 -62.18413 -58.66367 3.52046 2.24944 -59.40503 889.56844
1520.0000 -62.24895 -59.61016 2.63879 2.24900 -59.40900 870.36563
1525.0000 -62.72295 -60.52279 2.20016 2.14919 -60.30733 756.51584
1530.0000 -61.99931 -59.09837 2.90095 2.19424 -59.90185 852.41342
1535.0000 -61.70207 -58.81081 2.89125 2.27949 -59.13455 909.62947
1540.0000 -62.16903 -58.68350 3.48553 2.29946 -58.95489 929.25646
1545.0000 -63.23813 -60.88516 2.35297 2.19132 -59.92813 829.99720
1550.0000 -62.88047 -59.74015 3.14032 2.12003 -60.56974 750.79687
1555.0000 -62.21695 -59.99557 2.22138 2.20778 -59.77994 852.74778
1560.0000 -61.70848 -59.27270 2.43578 2.18241 -60.00829 785.00448
1565.0000 -63.23503 -59.95554 3.27949 2.26468 -59.26792 919.88719
1570.0000 -63.57937 -60.19453 3.38484 2.18090 -60.02186 818.39339
1575.0000 -61.94821 -59.03025 2.91795 2.23614 -59.52475 858.31411
1580.0000 -63.04666 -59.51282 3.53383 2.26365 -59.27717 856.05495
1585.0000 -63.35455 -60.67530 2.67925 2.25588 -59.34710 874.33066
1590.0000 -63.63109 -61.41122 2.21987 2.13604 -60.42560 761.08464
1595.0000 -62.69252 -60.52332 2.16919 2.10416 -60.71255 729.99061
1600.0000 -63.47763 -60.67413 2.80350 2.11431 -60.62119 746.29496
1605.0000 -63.26934 -60.15219 3.11715 2.14067 -60.38401 796.75179
1610.0000 -63.25387 -60.39103 2.86284 2.16290 -60.18389 837.70917
1615.0000 -63.20841 -60.80286 2.40555 2.07982 -60.93159 695.73730
1620.0000 -63.39654 -61.30352 2.09302 2.03566 -61.32906 682.54116
1625.0000 -61.81721 -59.68675 2.13047 2.11884 -60.58041 744.73385
1630.0000 -61.55767 -58.63944 2.91822 2.23625 -59.52375 868.44954
1635.0000 -62.54787 -58.81463 3.73324 2.33525 -58.63272 920.50955
1640.0000 -61.86576 -58.59552 3.27024 2.33173 -58.66445 967.83921
1645.0000 -61.82893 -59.38199 2.44695 2.26749 -59.24255 847.68694
1650.0000 -61.91348 -58.53415 3.37932 2.28277 -59.10508 911.12714
1655.0000 -63.00434 -59.64395 3.36039 2.24486 -59.44623 854.46812
1660.0000 -62.62336 -59.62808 2.99528 2.20556 -59.80000 825.88885
1665.0000 -62.21656 -58.80039 3.41617 2.22704 -59.60668 853.55632
1670.0000 -63.16912 -60.35683 2.81229 2.24531 -59.44225 846.93245
1675.0000 -62.54443 -60.33892 2.20552 2.18198 -60.01216 788.29992
1680.0000 -63.01410 -59.52814 3.48596 2.18232 -60.00914 822.67898
1685.0000 -61.81161 -58.77913 3.03248 2.25126 -59.38865 884.71675
1690.0000 -62.15759 -59.54048 2.61711 2.28614 -59.07473 919.10713
1695.0000 -63.05431 -59.90248 3.15183 2.20833 -59.77499 778.06356
1700.0000 -62.60064 -59.27947 3.32118 2.31641 -58.80235 939.94282
1705.0000 -61.92474 -58.95134 2.97341 2.26275 -59.28522 920.04213
1710.0000 -63.74617 -60.99898 2.74718 2.20992 -59.76073 804.77840
1715.0000 -62.49236 -59.12658 3.36578 2.10492 -60.70568 729.49483
1720.0000 -62.04725 -59.08378 2.96347 2.25004 -59.39966 835.83929
1725.0000 -62.32062 -59.13272 3.18790 2.25081 -59.39273 859.86209
1730.0000 -61.45991 -58.52229 2.93762 2.32396 -58.73432 968.53773
1735.0000 -63.11510 -60.21307 2.90203 2.20838 -59.77457 832.73419
1740.0000 -62.52446 -59.09707 3.42739 2.30814 -58.87673 985.39302
1745.0000 -63.17794 -60.04716 3.13078 2.27399 -59.18408 904.97894
1750.0000 -63.71791 -60.99695 2.72096 2.11089 -60.65201 753.64045
FREEZING PROCESS: loop number 8 T-loop= 824.00000000000000
main_MD> interactions number 8 at Temperature= 824.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.61140 -0.28909 -0.41338
force_rgl> df(natom) 0.95045 -3.15376 1.07557
1755.0000 -62.88727 -59.77270 3.11457 2.15453 -60.25920 773.37589
1760.0000 -62.07303 -59.37072 2.70231 2.22494 -59.62551 848.50074
1765.0000 -63.54941 -60.83626 2.71315 2.16243 -60.18809 776.64362
1770.0000 -62.59580 -59.82382 2.77197 2.14992 -60.30074 789.15613
1775.0000 -61.63631 -58.68417 2.95214 2.28139 -59.11746 889.16014
1780.0000 -62.39491 -58.30672 4.08819 2.33348 -58.64864 945.34142
1785.0000 -61.59405 -59.24235 2.35170 2.27700 -59.15701 876.79459
1790.0000 -62.96938 -59.73045 3.23893 2.22677 -59.60910 856.96878
1795.0000 -62.46240 -60.20136 2.26104 2.16938 -60.12560 744.16725
1800.0000 -62.53152 -58.76298 3.76854 2.27039 -59.21653 858.82040
1805.0000 -62.30204 -59.29971 3.00233 2.22073 -59.66346 807.07136
1810.0000 -62.23723 -59.70326 2.53397 2.30738 -58.88360 904.44845
1815.0000 -62.73972 -59.01429 3.72543 2.28370 -59.09670 890.85980
1820.0000 -63.38025 -60.34670 3.03355 2.15479 -60.25687 761.14557
1825.0000 -62.55512 -60.73164 1.82348 2.14082 -60.38258 786.36616
1830.0000 -63.37850 -60.54627 2.83223 2.11858 -60.58277 733.13071
1835.0000 -63.13414 -60.12873 3.00540 2.11244 -60.63804 743.89695
1840.0000 -60.88435 -58.08174 2.80261 2.30084 -58.94247 927.39773
1845.0000 -62.01011 -58.00946 4.00065 2.38345 -58.19893 983.05478
1850.0000 -62.84346 -60.24170 2.60176 2.26384 -59.27548 921.32382
1855.0000 -61.99083 -58.69934 3.29149 2.19067 -59.93396 837.72861
1860.0000 -63.55310 -60.13131 3.42179 2.24643 -59.43213 888.25080
1865.0000 -63.06565 -61.01601 2.04964 2.14351 -60.35842 769.75859
1870.0000 -63.59690 -61.03407 2.56284 2.06420 -61.07217 701.27560
1875.0000 -62.74432 -60.44987 2.29445 2.11808 -60.58727 764.05312
1880.0000 -62.74517 -60.11294 2.63223 2.20028 -59.84751 820.51866
1885.0000 -63.92088 -60.69189 3.22899 2.12035 -60.56689 750.50897
1890.0000 -63.53929 -60.63965 2.89963 2.11574 -60.60837 751.70994
1895.0000 -63.78476 -60.99481 2.78995 2.05273 -61.17547 733.20242
1900.0000 -64.26773 -60.90081 3.36691 2.07713 -60.95585 727.59952
1905.0000 -63.81548 -60.47926 3.33622 2.13483 -60.43657 760.01746
1910.0000 -63.20971 -60.65311 2.55660 2.14060 -60.38459 776.73719
1915.0000 -63.57337 -60.71435 2.85902 2.10002 -60.74983 754.19616
1920.0000 -62.32655 -59.85619 2.47036 2.12777 -60.50009 766.33241
1925.0000 -62.90358 -60.00485 2.89873 2.21299 -59.73306 828.28883
1930.0000 -62.91585 -60.56162 2.35423 2.12947 -60.48475 718.45040
1935.0000 -63.81448 -59.70991 4.10457 2.15973 -60.21239 796.53500
1940.0000 -63.60323 -60.56516 3.03807 2.20265 -59.82619 819.16026
1945.0000 -61.42821 -58.76743 2.66078 2.20676 -59.78918 819.96760
1950.0000 -62.07367 -59.11802 2.95565 2.26951 -59.22443 880.83641
1955.0000 -63.27620 -60.86418 2.41202 2.13866 -60.40208 753.93629
1960.0000 -63.08332 -59.79369 3.28963 2.11053 -60.65524 734.07382
1965.0000 -62.48768 -59.59959 2.88809 2.20685 -59.78838 878.34948
1970.0000 -63.00900 -59.79923 3.20977 2.25931 -59.31621 916.50651
1975.0000 -62.09481 -58.30964 3.78517 2.30394 -58.91453 935.76861
1980.0000 -61.58537 -58.63530 2.95007 2.38897 -58.14930 913.81498
1985.0000 -62.15828 -58.07656 4.08172 2.33151 -58.66645 916.27524
1990.0000 -62.13626 -58.12624 4.01002 2.34145 -58.57698 929.40473
1995.0000 -62.41746 -59.06531 3.35215 2.39882 -58.06065 986.77756
2000.0000 -62.57144 -60.34137 2.23007 2.18859 -59.95267 784.39461
FREEZING PROCESS: loop number 9 T-loop= 799.00000000000000
main_MD> interactions number 9 at Temperature= 799.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.60393 0.07530 2.78912
force_rgl> df(natom) 1.29071 0.65780 -1.57774
2005.0000 -62.80664 -59.67211 3.13453 2.16588 -60.15706 745.96607
2010.0000 -62.49656 -60.10373 2.39283 2.20493 -59.80565 755.66189
2015.0000 -62.73272 -60.04045 2.69227 2.18840 -59.95438 791.61476
2020.0000 -62.07472 -59.18589 2.88884 2.21877 -59.68105 817.73900
2025.0000 -62.47421 -59.85981 2.61440 2.25820 -59.32624 854.26357
2030.0000 -62.10344 -58.20669 3.89675 2.26790 -59.23886 854.57473
2035.0000 -61.78661 -58.75627 3.03034 2.27749 -59.15263 850.08161
2040.0000 -62.69588 -60.13297 2.56291 2.23217 -59.56050 847.66061
2045.0000 -62.64105 -60.22987 2.41118 2.11036 -60.65679 732.76476
2050.0000 -63.15091 -60.06176 3.08915 2.19666 -59.88009 836.09639
2055.0000 -62.37777 -59.96822 2.40955 2.20817 -59.77645 876.57889
2060.0000 -62.85519 -59.04857 3.80663 2.26976 -59.22216 876.38055
2065.0000 -63.41538 -59.88120 3.53418 2.27693 -59.15766 891.68886
2070.0000 -63.23822 -60.94380 2.29442 2.12323 -60.54093 710.60061
2075.0000 -63.54318 -61.46549 2.07769 2.05358 -61.16779 683.97207
2080.0000 -63.80434 -61.05040 2.75394 2.03987 -61.29121 715.24445
2085.0000 -62.23700 -59.47562 2.76138 2.16384 -60.17540 849.72991
2090.0000 -62.68301 -59.85654 2.82647 2.16789 -60.13902 802.47986
2095.0000 -62.79256 -60.79570 1.99686 2.10658 -60.69075 757.22300
2100.0000 -63.30322 -60.59898 2.70424 2.13017 -60.47844 802.65814
2105.0000 -63.61570 -60.36856 3.24714 2.09655 -60.78104 747.10032
2110.0000 -61.99928 -59.42422 2.57506 2.23528 -59.53244 870.20798
2115.0000 -62.35960 -59.60310 2.75650 2.28115 -59.11968 942.40610
2120.0000 -62.05221 -59.18548 2.86673 2.31026 -58.85769 872.64758
2125.0000 -64.04521 -60.65494 3.39028 2.23161 -59.56555 886.10686
2130.0000 -62.81757 -60.27776 2.53981 2.08319 -60.90131 744.10424
2135.0000 -63.21730 -60.32868 2.88861 2.13324 -60.45088 732.45818
2140.0000 -62.26532 -59.49705 2.76827 2.24051 -59.48543 787.63063
2145.0000 -63.14704 -60.36709 2.77994 2.21312 -59.73193 802.97674
2150.0000 -61.91355 -59.20340 2.71015 2.20471 -59.80765 793.38191
2155.0000 -61.87088 -59.23792 2.63297 2.26029 -59.30740 876.35370
2160.0000 -62.10268 -59.88731 2.21537 2.18352 -59.99835 794.60051
2165.0000 -62.43467 -59.34804 3.08662 2.24321 -59.46115 871.67451
2170.0000 -63.35602 -59.13274 4.22328 2.28232 -59.10908 927.31794
2175.0000 -61.83497 -58.59751 3.23746 2.32942 -58.68526 933.88506
2180.0000 -62.13713 -59.71766 2.41947 2.23530 -59.53228 856.46836
2185.0000 -62.77900 -60.12656 2.65244 2.21496 -59.71537 833.10945
2190.0000 -62.98429 -59.55513 3.42916 2.22999 -59.58005 796.44158
2195.0000 -62.36543 -59.62956 2.73588 2.25566 -59.34909 908.50454
2200.0000 -61.97069 -59.38378 2.58691 2.23741 -59.51327 848.47884
2205.0000 -63.50964 -60.23436 3.27528 2.14808 -60.31724 790.09946
2210.0000 -64.18159 -60.99373 3.18786 2.14072 -60.38355 774.22643
2215.0000 -63.16320 -60.53473 2.62847 2.09298 -60.81322 733.72463
2220.0000 -63.79748 -61.00527 2.79221 2.13524 -60.43281 822.29217
2225.0000 -63.54129 -60.11577 3.42553 2.15745 -60.23299 771.70191
2230.0000 -62.04366 -59.37884 2.66483 2.22589 -59.61697 864.26342
2235.0000 -62.21445 -60.18239 2.03206 2.18964 -59.94325 808.88577
2240.0000 -63.16298 -60.61589 2.54710 2.17179 -60.10386 791.33565
2245.0000 -62.97223 -60.53255 2.43969 2.04945 -61.20493 700.62254
2250.0000 -63.09654 -60.57746 2.51907 2.16025 -60.20775 796.81644
FREEZING PROCESS: loop number 10 T-loop= 774.00000000000000
main_MD> interactions number 10 at Temperature= 774.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.00435 3.03182 -1.09511
force_rgl> df(natom) 2.32154 1.08408 -0.69366
2255.0000 -62.97179 -59.26309 3.70870 2.17732 -60.05413 784.46581
2260.0000 -63.24199 -59.88496 3.35703 2.26355 -59.27805 905.12045
2265.0000 -63.14926 -59.57859 3.57068 2.23683 -59.51854 891.02957
2270.0000 -62.87055 -60.00454 2.86601 2.16252 -60.18736 790.86341
2275.0000 -62.54671 -59.74740 2.79931 2.14681 -60.32870 727.05174
2280.0000 -61.89063 -59.30965 2.58098 2.23755 -59.51202 861.21229
2285.0000 -63.03636 -60.01669 3.01967 2.22487 -59.62614 842.56134
2290.0000 -62.44690 -59.28292 3.16398 2.22541 -59.62128 846.19393
2295.0000 -61.75298 -58.99930 2.75368 2.30797 -58.87831 895.07267
2300.0000 -61.62227 -59.70799 1.91428 2.26818 -59.23635 858.63201
2305.0000 -62.93803 -60.74525 2.19279 2.15147 -60.28675 755.67007
2310.0000 -62.92452 -60.27017 2.65435 2.07784 -60.94941 723.48936
2315.0000 -62.78146 -60.32045 2.46101 2.16775 -60.14029 761.28790
2320.0000 -63.44438 -60.90082 2.54355 2.09802 -60.76780 725.19628
2325.0000 -62.87709 -60.50688 2.37021 2.05252 -61.17731 647.71877
2330.0000 -62.68860 -59.72148 2.96712 2.17872 -60.04154 799.65196
2335.0000 -63.37729 -60.95578 2.42151 2.16672 -60.14953 790.24807
2340.0000 -63.89558 -61.88273 2.01285 2.04292 -61.26374 713.18991
2345.0000 -63.77656 -61.85371 1.92285 1.96753 -61.94225 650.69189
2350.0000 -63.52000 -61.27249 2.24752 1.98454 -61.78916 647.48913
2355.0000 -63.19145 -60.32677 2.86469 2.09290 -60.81394 726.73058
2360.0000 -63.42401 -60.41021 3.01380 2.14904 -60.30861 747.74031
2365.0000 -61.71609 -59.16821 2.54787 2.18389 -59.99501 808.59566
2370.0000 -63.43848 -61.00069 2.43779 2.18656 -59.97100 831.40279
2375.0000 -62.91517 -60.94030 1.97487 2.10519 -60.70325 747.07676
2380.0000 -62.61390 -60.06258 2.55132 2.18399 -59.99407 732.24823
2385.0000 -62.51973 -59.61957 2.90016 2.17352 -60.08834 766.24246
2390.0000 -63.38840 -60.60325 2.78515 2.14872 -60.31156 784.08822
2395.0000 -62.88913 -60.41192 2.47722 2.13685 -60.41839 783.82407
2400.0000 -62.17604 -59.64753 2.52852 2.15954 -60.21415 769.63550
2405.0000 -62.74873 -59.31809 3.43063 2.15807 -60.22739 769.60748
2410.0000 -63.69954 -60.61743 3.08211 2.14631 -60.33321 833.59468
2415.0000 -62.84881 -59.87063 2.97818 2.11840 -60.58444 743.51287
2420.0000 -62.17178 -59.60343 2.56835 2.22123 -59.65897 822.90517
2425.0000 -63.51117 -60.63285 2.87832 2.18345 -59.99899 802.46099
2430.0000 -63.09131 -60.67753 2.41377 2.05719 -61.13525 722.74871
2435.0000 -62.18226 -59.51505 2.66722 2.11334 -60.62998 737.09921
2440.0000 -63.03298 -60.68724 2.34573 2.13628 -60.42347 732.66407
2445.0000 -63.26846 -60.87932 2.38915 2.12560 -60.51962 772.30379
2450.0000 -63.66854 -60.75794 2.91060 2.08295 -60.90346 745.38575
2455.0000 -63.76405 -61.32956 2.43449 2.09831 -60.76518 761.06698
2460.0000 -63.37407 -61.20590 2.16817 2.05539 -61.15148 704.15653
2465.0000 -62.89184 -59.95864 2.93320 2.10309 -60.72221 754.89577
2470.0000 -62.81733 -59.22561 3.59172 2.19432 -59.90111 852.05327
2475.0000 -63.30635 -60.14159 3.16475 2.19314 -59.91174 830.83681
2480.0000 -62.90217 -60.49859 2.40358 2.18121 -60.01914 779.87348
2485.0000 -63.24767 -60.57096 2.67671 2.08444 -60.89002 694.58651
2490.0000 -62.94901 -58.86026 4.08875 2.21742 -59.69324 854.23122
2495.0000 -62.15183 -59.12169 3.03014 2.23053 -59.57519 876.37065
2500.0000 -62.11468 -59.35787 2.75680 2.24731 -59.42420 846.37053
FREEZING PROCESS: loop number 11 T-loop= 749.00000000000000
main_MD> interactions number 11 at Temperature= 749.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.17330 -1.27277 -0.66533
force_rgl> df(natom) -0.97150 1.35904 0.72722
2505.0000 -62.84291 -59.36729 3.47562 2.29705 -58.97655 889.03477
2510.0000 -63.50327 -60.44785 3.05542 2.18780 -59.95977 836.84606
2515.0000 -63.15651 -60.53258 2.62393 2.12673 -60.50942 780.97153
2520.0000 -62.61907 -59.92942 2.68965 2.21206 -59.74143 858.18662
2525.0000 -63.14011 -59.93216 3.20796 2.26395 -59.27449 886.88528
2530.0000 -63.73105 -60.74312 2.98793 2.15994 -60.21052 793.01424
2535.0000 -62.77301 -60.29662 2.47639 2.16262 -60.18641 792.12373
2540.0000 -62.79142 -60.03002 2.76140 2.16710 -60.14609 776.97812
2545.0000 -62.74772 -60.62721 2.12051 2.15469 -60.25775 780.96222
2550.0000 -63.05933 -60.18077 2.87857 2.13420 -60.44221 746.47412
2555.0000 -63.09748 -60.80011 2.29737 2.13591 -60.42680 741.46079
2560.0000 -63.19370 -60.64605 2.54766 2.06145 -61.09697 663.45611
2565.0000 -63.45371 -61.01251 2.44121 2.01391 -61.52484 611.06700
2570.0000 -63.85626 -61.69986 2.15640 2.05939 -61.11550 702.02917
2575.0000 -63.57406 -60.79490 2.77916 1.98617 -61.77444 638.37028
2580.0000 -63.66212 -60.84018 2.82194 2.11499 -60.61511 776.26282
2585.0000 -62.98422 -60.43687 2.54735 2.11394 -60.62455 755.70268
2590.0000 -62.25767 -59.19544 3.06223 2.18318 -60.00141 821.39797
2595.0000 -63.08563 -61.09871 1.98692 2.20721 -59.78515 824.39475
2600.0000 -63.88572 -60.83043 3.05529 2.14515 -60.34363 784.68228
2605.0000 -63.39875 -61.41975 1.97900 2.10621 -60.69409 774.03720
2610.0000 -63.74636 -61.08010 2.66625 2.05701 -61.13687 668.00325
2615.0000 -63.60644 -60.58072 3.02571 2.12716 -60.50560 798.35007
2620.0000 -63.81078 -61.81402 1.99675 2.09267 -60.81599 743.40356
2625.0000 -63.13354 -60.59003 2.54350 1.99342 -61.70925 599.60093
2630.0000 -62.73206 -59.71240 3.01966 2.15525 -60.25279 762.74698
2635.0000 -62.57361 -59.97623 2.59737 2.25597 -59.34626 847.91000
2640.0000 -63.63833 -60.57286 3.06547 2.14659 -60.33072 744.39285
2645.0000 -63.43809 -60.42688 3.01121 2.10088 -60.74209 768.81178
2650.0000 -63.20656 -60.87479 2.33177 2.13007 -60.47938 744.30416
2655.0000 -63.49534 -60.94193 2.55341 2.07703 -60.95674 685.28739
2660.0000 -62.97040 -60.02393 2.94647 2.10989 -60.66096 751.25389
2665.0000 -63.47318 -60.76096 2.71222 2.13375 -60.44623 835.55241
2670.0000 -63.91071 -61.26128 2.64943 2.08827 -60.85561 761.36248
2675.0000 -63.74224 -61.89357 1.84866 1.97624 -61.86384 636.22913
2680.0000 -63.82704 -61.65242 2.17462 1.99237 -61.71870 611.34568
2685.0000 -63.72325 -60.88333 2.83992 2.05007 -61.19934 718.73801
2690.0000 -62.85905 -60.29496 2.56409 2.14181 -60.37373 764.41055
2695.0000 -62.85413 -60.23452 2.61962 2.07573 -60.96840 719.30391
2700.0000 -63.06762 -60.43942 2.62820 2.16955 -60.12408 822.65000
2705.0000 -63.37004 -60.27313 3.09691 2.13140 -60.46744 748.67898
2710.0000 -63.43061 -60.86872 2.56189 2.17110 -60.11006 818.24323
2715.0000 -63.98069 -61.52539 2.45530 2.04391 -61.25485 715.67963
2720.0000 -63.31614 -60.06287 3.25327 2.10950 -60.66453 794.68282
2725.0000 -61.98979 -59.72253 2.26726 2.15206 -60.28143 798.07383
2730.0000 -62.96285 -59.96163 3.00122 2.17188 -60.10306 773.30462
2735.0000 -62.26476 -59.45204 2.81272 2.20580 -59.79784 763.66964
2740.0000 -62.51555 -59.82858 2.68697 2.24090 -59.48191 873.17850
2745.0000 -62.56447 -59.43900 3.12547 2.18808 -59.95727 797.07619
2750.0000 -62.26165 -59.31073 2.95092 2.23806 -59.50747 844.87014
FREEZING PROCESS: loop number 12 T-loop= 724.00000000000000
main_MD> interactions number 12 at Temperature= 724.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.64999 1.51549 -1.93348
force_rgl> df(natom) 0.23535 0.11440 1.95979
2755.0000 -62.05255 -59.15560 2.89695 2.22837 -59.59463 803.50428
2760.0000 -62.44681 -59.71043 2.73638 2.23574 -59.52830 831.87329
2765.0000 -63.00959 -60.50716 2.50243 2.16909 -60.12820 812.49138
2770.0000 -63.52039 -60.68086 2.83953 2.09782 -60.76960 749.98942
2775.0000 -63.42795 -60.94061 2.48733 2.11487 -60.61620 709.09920
2780.0000 -62.91777 -60.79736 2.12041 2.11987 -60.57120 753.61166
2785.0000 -63.45779 -60.17706 3.28073 2.15197 -60.28228 788.59979
2790.0000 -63.48577 -60.58243 2.90334 2.15129 -60.28837 857.11571
2795.0000 -63.28084 -60.02714 3.25370 2.14990 -60.30093 816.92914
2800.0000 -63.43887 -60.52262 2.91625 2.06260 -61.08663 694.63553
2805.0000 -63.43126 -60.20464 3.22662 2.14081 -60.38267 788.63191
2810.0000 -63.57557 -61.03475 2.54083 2.12828 -60.49550 768.65737
2815.0000 -63.21065 -61.03848 2.17216 2.04532 -61.24214 703.01811
2820.0000 -63.58741 -61.41707 2.17034 2.06480 -61.06683 722.30981
2825.0000 -63.78554 -61.41455 2.37099 2.02477 -61.42708 660.46781
2830.0000 -63.01882 -60.57741 2.44141 2.11889 -60.57997 793.22268
2835.0000 -63.38279 -60.60985 2.77293 2.05915 -61.11765 681.07812
2840.0000 -63.92204 -61.58864 2.33340 2.06530 -61.06233 685.63125
2845.0000 -64.32289 -62.08378 2.23912 2.00912 -61.56796 631.84316
2850.0000 -64.22578 -61.67975 2.54603 2.00262 -61.62642 665.67571
2855.0000 -63.54767 -61.28010 2.26757 2.03307 -61.35240 682.10234
2860.0000 -64.37782 -61.63893 2.73888 2.02308 -61.44230 659.44749
2865.0000 -63.72161 -62.12580 1.59581 1.97860 -61.84264 639.31189
2870.0000 -63.02225 -60.39820 2.62406 2.00822 -61.57606 662.51867
2875.0000 -63.29159 -61.34668 1.94491 2.09557 -60.78988 729.76634
2880.0000 -63.84735 -61.53538 2.31197 2.05029 -61.19740 709.20449
2885.0000 -63.68403 -61.02224 2.66179 2.02856 -61.39295 705.55941
2890.0000 -62.97374 -60.70945 2.26429 2.03942 -61.29519 688.18417
2895.0000 -62.32415 -59.74618 2.57797 2.12067 -60.56395 760.46507
2900.0000 -62.62766 -60.41038 2.21728 2.23841 -59.50431 834.75354
2905.0000 -63.58794 -60.80487 2.78308 2.11159 -60.64565 708.78802
2910.0000 -62.90841 -60.62340 2.28501 2.10957 -60.66388 731.80013
2915.0000 -63.22996 -59.98250 3.24746 2.13508 -60.43430 780.88472
2920.0000 -61.93171 -59.59830 2.33341 2.24491 -59.44584 887.18741
2925.0000 -62.64045 -60.45139 2.18906 2.19356 -59.90798 799.38244
2930.0000 -63.77671 -61.48730 2.28941 2.06092 -61.10171 708.50024
2935.0000 -63.70622 -61.62078 2.08544 2.01121 -61.54914 675.38199
2940.0000 -63.40120 -60.51842 2.88278 2.07387 -60.98521 715.60697
2945.0000 -63.77866 -60.75807 3.02059 2.14654 -60.33110 798.15769
2950.0000 -62.71365 -59.77268 2.94097 2.10947 -60.66481 737.15152
2955.0000 -63.46141 -60.97179 2.48962 2.13880 -60.40083 749.30309
2960.0000 -63.79854 -61.26655 2.53199 2.07969 -60.93281 722.20675
2965.0000 -63.71509 -61.55754 2.15755 2.03495 -61.33549 685.04573
2970.0000 -64.23485 -61.91305 2.32180 1.99131 -61.72820 660.13942
2975.0000 -64.87876 -62.36168 2.51708 1.91931 -62.37620 575.63210
2980.0000 -64.52907 -62.13981 2.38926 2.03472 -61.33754 672.33412
2985.0000 -63.70009 -61.81284 1.88725 1.96016 -62.00857 597.58930
2990.0000 -64.35450 -61.44109 2.91341 2.04854 -61.21312 709.28271
2995.0000 -63.72366 -61.41956 2.30410 2.02365 -61.43714 694.57916
3000.0000 -63.89795 -61.31189 2.58606 2.00844 -61.57400 667.24759
FREEZING PROCESS: loop number 13 T-loop= 699.00000000000000
main_MD> interactions number 13 at Temperature= 699.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.82708 2.29361 -0.40808
force_rgl> df(natom) -1.06133 2.99141 -4.32105
3005.0000 -63.65147 -61.38436 2.26711 2.04586 -61.23727 691.19577
3010.0000 -63.43123 -61.47951 1.95172 2.03661 -61.32053 695.96769
3015.0000 -63.78197 -61.44598 2.33600 2.00706 -61.58649 670.51485
3020.0000 -64.11493 -62.14206 1.97287 1.98819 -61.75630 671.40028
3025.0000 -64.29132 -62.37422 1.91710 1.96921 -61.92711 610.02409
3030.0000 -64.52923 -62.21978 2.30945 1.91607 -62.40534 575.92649
3035.0000 -64.08827 -62.11682 1.97146 1.98911 -61.74804 648.66275
3040.0000 -64.12864 -62.20625 1.92239 1.91484 -62.41648 549.19381
3045.0000 -63.82274 -62.01846 1.80428 1.99404 -61.70361 628.11015
3050.0000 -64.19734 -61.52962 2.66772 1.96134 -61.99793 627.20847
3055.0000 -63.80782 -61.60144 2.20638 1.99252 -61.71730 688.11781
3060.0000 -64.00104 -61.18460 2.81644 2.01063 -61.55436 640.28351
3065.0000 -64.59575 -61.61823 2.97751 1.98315 -61.80169 608.83322
3070.0000 -63.87709 -61.63633 2.24076 1.99536 -61.69177 669.39486
3075.0000 -63.37778 -60.26227 3.11550 2.08559 -60.87973 742.61020
3080.0000 -63.41750 -61.10911 2.30840 2.06599 -61.05611 697.49215
3085.0000 -63.56783 -60.89845 2.66938 2.04162 -61.27546 680.73830
3090.0000 -62.92390 -60.98165 1.94225 2.09416 -60.80252 736.20097
3095.0000 -63.39492 -61.37485 2.02007 2.02115 -61.45964 679.87185
3100.0000 -63.16937 -60.69001 2.47936 2.08421 -60.89212 736.09026
3105.0000 -62.50739 -59.99674 2.51066 2.16403 -60.17375 796.58437
3110.0000 -63.86957 -61.20991 2.65965 2.07801 -60.94793 710.73802
3115.0000 -63.83371 -61.51275 2.32095 2.03869 -61.30178 708.56535
3120.0000 -63.33639 -60.69373 2.64266 2.01725 -61.49476 679.39671
3125.0000 -63.54535 -61.73567 1.80967 2.03077 -61.37304 680.62709
3130.0000 -64.29570 -61.55079 2.74490 2.01015 -61.55865 624.53015
3135.0000 -64.11809 -62.11277 2.00531 1.98437 -61.79068 652.82402
3140.0000 -64.10921 -61.95951 2.14970 1.96615 -61.95469 628.37445
3145.0000 -63.84853 -61.63387 2.21466 2.00389 -61.61498 651.62552
3150.0000 -62.58541 -60.22656 2.35885 2.05250 -61.17754 678.60147
3155.0000 -63.42679 -60.60965 2.81714 2.12766 -60.50107 757.26703
3160.0000 -62.47893 -59.97714 2.50180 2.11980 -60.57179 720.68477
3165.0000 -63.53984 -61.84335 1.69649 2.08189 -60.91300 636.20460
3170.0000 -64.17257 -61.86156 2.31101 2.00011 -61.64899 634.00644
3175.0000 -63.90125 -61.53110 2.37015 2.02430 -61.43134 682.28659
3180.0000 -63.91032 -62.18638 1.72395 1.98270 -61.80566 646.76346
3185.0000 -63.92629 -61.64725 2.27904 1.96821 -61.93608 609.23613
3190.0000 -63.80295 -61.21607 2.58689 2.01057 -61.55483 678.26241
3195.0000 -63.52548 -61.74434 1.78114 1.98059 -61.82472 619.31294
3200.0000 -63.99686 -62.37423 1.62263 1.96280 -61.98476 576.59787
3205.0000 -64.74859 -62.25817 2.49041 1.94220 -62.17021 582.26964
3210.0000 -63.52891 -61.36291 2.16600 1.98104 -61.82065 611.14543
3215.0000 -64.23985 -61.60069 2.63916 2.00188 -61.63312 628.79863
3220.0000 -63.00808 -60.91972 2.08836 2.05055 -61.19506 738.86964
3225.0000 -63.06543 -60.70338 2.36205 2.10172 -60.73449 733.16582
3230.0000 -62.94974 -60.66152 2.28822 2.07554 -60.97015 711.91210
3235.0000 -63.18500 -60.28701 2.89799 2.16111 -60.19999 805.91237
3240.0000 -63.63563 -60.67031 2.96532 2.12049 -60.56560 719.30519
3245.0000 -64.04425 -61.33912 2.70513 2.08525 -60.88277 745.78280
3250.0000 -63.97298 -61.56758 2.40539 1.96484 -61.96641 631.91140
FREEZING PROCESS: loop number 14 T-loop= 674.00000000000000
main_MD> interactions number 14 at Temperature= 674.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.30443 -1.78869 -0.61628
force_rgl> df(natom) 0.33715 -0.42824 1.08270
3255.0000 -63.97962 -61.95367 2.02594 1.99311 -61.71200 658.35102
3260.0000 -64.01109 -62.22094 1.79014 1.95346 -62.06887 591.17006
3265.0000 -63.70597 -62.08332 1.62266 1.94474 -62.14732 596.99665
3270.0000 -63.79389 -62.06709 1.72680 1.92322 -62.34106 518.95062
3275.0000 -62.90688 -60.49361 2.41327 2.04244 -61.26801 681.18329
3280.0000 -62.59659 -60.10302 2.49356 2.12869 -60.49181 797.92480
3285.0000 -63.15496 -61.20728 1.94768 2.07260 -60.99657 718.84583
3290.0000 -63.41603 -61.18649 2.22954 2.02181 -61.45369 676.51662
3295.0000 -62.78073 -60.10354 2.67719 2.11477 -60.61706 783.20118
3300.0000 -63.07288 -60.07310 2.99978 2.15969 -60.21282 784.87820
3305.0000 -63.80113 -61.72388 2.07725 2.09389 -60.80501 737.10579
3310.0000 -63.47104 -60.83898 2.63207 2.05486 -61.15623 649.24092
3315.0000 -63.19718 -60.35931 2.83787 2.12697 -60.50728 720.34084
3320.0000 -62.31857 -60.10828 2.21029 2.17048 -60.11571 766.97152
3325.0000 -62.32306 -59.51069 2.81236 2.21096 -59.75140 827.48148
3330.0000 -62.48283 -59.62019 2.86264 2.25206 -59.38147 855.29525
3335.0000 -64.30213 -61.09653 3.20560 2.12394 -60.53453 767.82932
3340.0000 -63.21664 -60.75727 2.45936 2.07288 -60.99405 709.04597
3345.0000 -63.58587 -61.05615 2.52972 2.11819 -60.58627 760.56656
3350.0000 -64.20608 -62.11606 2.09002 1.98393 -61.79461 651.03278
3355.0000 -63.87347 -61.24414 2.62933 1.98616 -61.77455 635.65606
3360.0000 -64.26526 -61.72199 2.54327 1.99254 -61.71711 641.69335
3365.0000 -61.86601 -59.38967 2.47633 2.12823 -60.49595 778.96750
3370.0000 -63.48730 -60.26743 3.21987 2.19892 -59.85969 759.63755
3375.0000 -63.60541 -61.40335 2.20205 2.05750 -61.13254 690.47403
3380.0000 -64.06737 -61.76838 2.29898 1.99334 -61.70990 667.44219
3385.0000 -63.32221 -60.95222 2.36998 2.05798 -61.12818 686.84498
3390.0000 -63.31097 -61.08729 2.22367 2.08348 -60.89868 705.68693
3395.0000 -63.32156 -60.92594 2.39561 2.05924 -61.11682 693.36937
3400.0000 -63.21600 -60.59318 2.62282 2.09406 -60.80350 680.10422
3405.0000 -63.21866 -60.76156 2.45710 2.10418 -60.71241 668.62427
3410.0000 -63.45119 -61.16020 2.29099 2.10059 -60.74466 689.19502
3415.0000 -63.27342 -61.44502 1.82840 2.02049 -61.46556 629.20874
3420.0000 -63.91614 -61.42847 2.48767 1.99061 -61.73447 579.61693
3425.0000 -62.95490 -60.42422 2.53068 2.10912 -60.66796 751.12392
3430.0000 -63.24170 -60.58132 2.66038 2.13693 -60.41760 751.86648
3435.0000 -62.94476 -60.65403 2.29072 2.11177 -60.64409 747.56004
3440.0000 -62.78907 -59.65383 3.13524 2.16342 -60.17920 789.78722
3445.0000 -62.42558 -60.34646 2.07912 2.21658 -59.70074 864.87722
3450.0000 -63.90805 -61.13219 2.77586 2.05550 -61.15054 652.48513
3455.0000 -63.72689 -61.27494 2.45195 2.05041 -61.19633 692.24857
3460.0000 -64.08113 -61.08104 3.00009 2.06572 -61.05856 721.75936
3465.0000 -64.10563 -61.24376 2.86187 2.04133 -61.27801 657.85928
3470.0000 -63.01855 -60.89878 2.11977 2.06142 -61.09723 669.86525
3475.0000 -63.21098 -60.02293 3.18805 2.12396 -60.53435 744.36980
3480.0000 -63.32993 -61.03701 2.29293 2.12084 -60.56247 743.16895
3485.0000 -63.52021 -61.88835 1.63186 2.06037 -61.10669 670.73719
3490.0000 -63.23244 -61.18489 2.04755 2.00879 -61.57087 652.37319
3495.0000 -63.97799 -61.40926 2.56873 2.05832 -61.12513 716.86730
3500.0000 -63.97277 -61.75118 2.22159 2.00400 -61.61399 670.71562
FREEZING PROCESS: loop number 15 T-loop= 649.00000000000000
main_MD> interactions number 15 at Temperature= 649.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.59308 -1.21010 -1.16356
force_rgl> df(natom) -0.56507 0.68080 0.67106
3505.0000 -64.48549 -62.05981 2.42568 2.00192 -61.63272 657.17772
3510.0000 -63.36388 -61.12109 2.24279 2.06605 -61.05554 719.18147
3515.0000 -63.79462 -61.44937 2.34525 2.04379 -61.25591 664.42387
3520.0000 -64.31053 -62.07332 2.23721 1.95827 -62.02559 568.41626
3525.0000 -63.75550 -61.44627 2.30923 2.00394 -61.61450 623.50965
3530.0000 -64.24279 -61.80959 2.43320 1.96651 -61.95141 596.78994
3535.0000 -63.33121 -61.83282 1.49839 1.96307 -61.98240 602.93635
3540.0000 -63.92743 -61.76894 2.15850 2.00041 -61.64633 652.42294
3545.0000 -63.37273 -61.60850 1.76423 1.98830 -61.75526 642.45084
3550.0000 -63.46326 -61.07659 2.38667 2.10222 -60.73001 746.81715
3555.0000 -64.18712 -61.97510 2.21202 1.93782 -62.20963 597.94508
3560.0000 -63.39645 -61.38033 2.01612 2.00139 -61.63753 661.50691
3565.0000 -63.92079 -61.64105 2.27975 1.98506 -61.78443 657.32850
3570.0000 -63.85481 -62.60175 1.25306 1.97892 -61.83974 602.90890
3575.0000 -63.79746 -62.12974 1.66772 1.96008 -62.00925 557.94644
3580.0000 -63.71057 -61.37541 2.33515 1.95517 -62.05348 559.22175
3585.0000 -64.33996 -61.64437 2.69559 2.01613 -61.50479 710.11163
3590.0000 -62.71391 -60.74490 1.96901 2.05459 -61.15873 705.20777
3595.0000 -64.24045 -61.36913 2.87132 2.06186 -61.09326 698.42687
3600.0000 -64.38342 -62.20656 2.17687 1.99231 -61.71921 674.46964
3605.0000 -63.80802 -61.11465 2.69337 2.00079 -61.64293 673.15526
3610.0000 -63.36564 -60.82626 2.53938 2.05925 -61.11675 713.72116
3615.0000 -63.51414 -60.78107 2.73307 2.06581 -61.05771 699.85255
3620.0000 -64.15394 -61.04452 3.10943 2.06779 -61.03986 713.85687
3625.0000 -63.84257 -61.84292 1.99965 2.04036 -61.28674 725.42459
3630.0000 -63.84143 -61.74235 2.09909 1.97877 -61.84107 662.52199
3635.0000 -64.00227 -62.17191 1.83036 2.00449 -61.60957 668.09259
3640.0000 -63.28412 -61.43961 1.84451 1.99741 -61.67327 614.24220
3645.0000 -63.20592 -60.82144 2.38448 2.10157 -60.73586 691.26366
3650.0000 -63.62190 -61.37249 2.24941 2.04826 -61.21563 625.11406
3655.0000 -64.22176 -62.55991 1.66185 1.99898 -61.65916 644.57582
3660.0000 -64.20822 -61.90448 2.30374 1.89391 -62.60482 519.74335
3665.0000 -64.21643 -61.97435 2.24208 1.97648 -61.86168 617.66322
3670.0000 -64.21649 -62.10391 2.11258 1.95069 -62.09382 617.33432
3675.0000 -64.52187 -62.05920 2.46267 1.95190 -62.08288 587.34726
3680.0000 -64.55053 -62.60660 1.94393 1.93378 -62.24598 593.44278
3685.0000 -63.87303 -61.48666 2.38637 1.93006 -62.27947 597.88281
3690.0000 -63.92394 -61.63352 2.29041 2.03339 -61.34950 728.83708
3695.0000 -64.08363 -61.70536 2.37827 2.00136 -61.63774 679.68886
3700.0000 -63.99553 -61.85769 2.13784 1.98113 -61.81986 635.96042
3705.0000 -63.84165 -61.57957 2.26208 2.01208 -61.54130 667.01248
3710.0000 -63.69793 -61.88082 1.81711 2.00138 -61.63755 632.02953
3715.0000 -64.25766 -62.58473 1.67293 1.95664 -62.04022 625.85559
3720.0000 -63.95911 -61.11989 2.83922 1.96349 -61.97861 606.46448
3725.0000 -64.44972 -62.03830 2.41142 2.02953 -61.38420 700.82124
3730.0000 -64.89207 -63.22467 1.66739 1.94264 -62.16627 614.13548
3735.0000 -64.38215 -62.41262 1.96953 1.86907 -62.82839 515.67665
3740.0000 -64.70826 -62.61551 2.09275 1.91409 -62.42319 564.44436
3745.0000 -64.08586 -62.24296 1.84289 1.93864 -62.20222 576.40843
3750.0000 -63.60316 -60.50802 3.09514 2.04238 -61.26859 698.97108
FREEZING PROCESS: loop number 16 T-loop= 624.00000000000000
main_MD> interactions number 16 at Temperature= 624.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.03493 0.65111 1.08305
force_rgl> df(natom) 0.28050 -0.25460 -0.10716
3755.0000 -64.65974 -62.33826 2.32148 2.00897 -61.56923 655.77529
3760.0000 -64.46803 -62.66478 1.80325 1.92773 -62.30045 593.39675
3765.0000 -64.08635 -61.73310 2.35325 1.94635 -62.13281 568.64853
3770.0000 -64.21702 -61.57449 2.64253 1.96308 -61.98227 545.41322
3775.0000 -63.86437 -61.44547 2.41890 1.99931 -61.65618 609.07063
3780.0000 -63.66356 -61.13273 2.53083 2.02478 -61.42694 696.26338
3785.0000 -63.84905 -62.07089 1.77816 2.01277 -61.53505 662.27850
3790.0000 -64.42684 -62.18725 2.23959 1.94120 -62.17919 602.17263
3795.0000 -63.57204 -61.38121 2.19083 2.00669 -61.58976 684.41214
3800.0000 -64.14761 -61.86210 2.28552 2.01938 -61.47559 663.68375
3805.0000 -64.63226 -62.33832 2.29394 1.97031 -61.91718 614.13296
3810.0000 -64.36751 -62.46791 1.89960 1.89266 -62.61606 555.64625
3815.0000 -64.29658 -61.51218 2.78440 1.95740 -62.03344 616.11000
3820.0000 -63.82142 -61.65683 2.16459 1.98509 -61.78416 583.04892
3825.0000 -64.05266 -61.60365 2.44901 1.98178 -61.81397 618.13614
3830.0000 -64.24185 -62.16616 2.07569 1.97085 -61.91234 590.57520
3835.0000 -63.69455 -61.76110 1.93345 1.94533 -62.14205 592.97219
3840.0000 -63.96049 -61.66465 2.29584 1.97521 -61.87314 606.67289
3845.0000 -64.34634 -61.78325 2.56309 1.99521 -61.69313 651.26762
3850.0000 -64.11586 -62.03446 2.08139 1.94069 -62.18376 553.85589
3855.0000 -64.66723 -62.76525 1.90198 1.92117 -62.35950 539.42214
3860.0000 -64.22835 -62.35626 1.87209 1.90627 -62.49358 537.30172
3865.0000 -64.31287 -62.09393 2.21894 1.94600 -62.13601 593.02191
3870.0000 -63.81555 -61.55227 2.26328 1.92681 -62.30875 557.82984
3875.0000 -63.71937 -61.31927 2.40011 2.05710 -61.13611 711.37842
3880.0000 -63.72283 -61.63916 2.08368 2.02473 -61.42742 641.60197
3885.0000 -64.18351 -61.34098 2.84253 2.01368 -61.52689 601.53003
3890.0000 -63.58457 -61.73371 1.85086 2.03653 -61.32119 720.59418
3895.0000 -64.54556 -62.48319 2.06237 1.92727 -62.30461 599.86205
3900.0000 -64.41388 -62.78872 1.62516 1.89100 -62.63103 546.83648
3905.0000 -64.46895 -62.51578 1.95317 1.87021 -62.81813 541.15276
3910.0000 -63.92731 -61.72698 2.20034 1.94789 -62.11897 636.73634
3915.0000 -64.39623 -62.29324 2.10299 1.98367 -61.79697 655.69631
3920.0000 -63.76768 -62.26006 1.50762 1.89788 -62.56910 564.02466
3925.0000 -63.65667 -61.36543 2.29124 2.00258 -61.62678 668.18533
3930.0000 -64.28291 -62.29221 1.99070 1.97201 -61.90191 612.25896
3935.0000 -64.14879 -62.01079 2.13800 1.92725 -62.30479 549.98993
3940.0000 -63.99224 -61.68733 2.30490 1.98956 -61.74400 657.66647
3945.0000 -63.85439 -61.73724 2.11715 1.96500 -61.96497 608.19348
3950.0000 -63.88272 -61.80970 2.07302 1.98848 -61.75371 652.99861
3955.0000 -64.21797 -62.43387 1.78410 1.97093 -61.91164 635.86370
3960.0000 -64.61852 -62.97846 1.64006 1.87219 -62.80026 484.56779
3965.0000 -64.24367 -62.14326 2.10042 1.93845 -62.20394 568.52360
3970.0000 -64.37557 -61.90380 2.47176 1.96626 -61.95362 585.12224
3975.0000 -63.95020 -62.02551 1.92469 1.90523 -62.50295 552.24078
3980.0000 -64.21367 -62.31342 1.90025 1.94022 -62.18803 585.28828
3985.0000 -64.20297 -62.37318 1.82979 1.92875 -62.29127 565.68020
3990.0000 -64.06855 -62.36986 1.69870 1.89512 -62.59394 549.99235
3995.0000 -64.49085 -62.14969 2.34117 1.97126 -61.90863 636.08645
4000.0000 -64.22524 -62.50210 1.72314 1.96412 -61.97294 618.92147
FREEZING PROCESS: loop number 17 T-loop= 599.00000000000000
main_MD> interactions number 17 at Temperature= 599.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.07975 1.07348 5.00042
force_rgl> df(natom) -0.38890 0.03040 -1.56041
4005.0000 -64.83898 -62.89276 1.94622 1.88633 -62.67304 530.45434
4010.0000 -64.42352 -62.36163 2.06188 1.90171 -62.53465 554.16918
4015.0000 -64.56685 -62.06469 2.50217 1.91254 -62.43710 572.70102
4020.0000 -64.11717 -61.87994 2.23723 1.95740 -62.03338 578.37962
4025.0000 -64.33208 -61.67535 2.65673 1.97792 -61.84876 631.91845
4030.0000 -63.71366 -61.64390 2.06975 2.00740 -61.58339 628.70201
4035.0000 -63.88190 -61.85336 2.02854 1.95913 -62.01782 550.76803
4040.0000 -64.84358 -62.71345 2.13013 1.97091 -61.91177 603.85491
4045.0000 -64.46835 -62.99647 1.47188 1.88615 -62.67466 539.98914
4050.0000 -64.51213 -62.70137 1.81076 1.90953 -62.46426 542.26199
4055.0000 -64.65480 -62.68768 1.96712 1.89148 -62.62670 549.44938
4060.0000 -64.14196 -62.32770 1.81426 1.93946 -62.19487 596.51576
4065.0000 -64.24051 -62.48259 1.75792 1.91520 -62.41318 583.43425
4070.0000 -64.26257 -62.50112 1.76145 1.90076 -62.54320 533.35215
4075.0000 -64.10489 -62.52746 1.57743 1.89391 -62.60478 533.91118
4080.0000 -64.02017 -62.21717 1.80300 1.97434 -61.88094 634.33283
4085.0000 -64.52409 -62.67452 1.84957 1.90725 -62.48474 548.54880
4090.0000 -64.73862 -62.66562 2.07300 1.86251 -62.88741 508.37137
4095.0000 -64.84416 -62.28805 2.55610 1.92242 -62.34825 566.64725
4100.0000 -64.65510 -62.06640 2.58869 1.88254 -62.70711 530.43985
4105.0000 -64.56630 -62.85076 1.71555 1.93899 -62.19906 614.16097
4110.0000 -64.12060 -61.91468 2.20593 1.92444 -62.33002 572.98664
4115.0000 -64.98698 -62.55978 2.42720 1.95596 -62.04633 624.43362
4120.0000 -64.76999 -62.98838 1.78161 1.84105 -63.08053 492.02634
4125.0000 -64.04551 -62.05088 1.99463 1.89673 -62.57942 555.81726
4130.0000 -63.97948 -61.74601 2.23346 1.94661 -62.13051 585.98181
4135.0000 -64.34514 -62.29568 2.04946 1.93441 -62.24033 579.67078
4140.0000 -64.33131 -62.38051 1.95080 1.90662 -62.49043 526.21161
4145.0000 -65.11191 -63.15031 1.96160 1.86549 -62.86060 507.93755
4150.0000 -64.85294 -63.09423 1.75871 1.86287 -62.88414 533.21666
4155.0000 -63.91705 -61.84683 2.07022 1.90418 -62.51240 564.78488
4160.0000 -64.12606 -61.98198 2.14409 1.95008 -62.09927 610.48502
4165.0000 -64.34621 -62.17313 2.17308 1.93114 -62.26978 609.22577
4170.0000 -63.99679 -61.89788 2.09892 1.94385 -62.15531 592.08663
4175.0000 -64.14612 -62.00599 2.14013 1.94306 -62.16243 593.07639
4180.0000 -64.43914 -61.96894 2.47020 1.94650 -62.13152 623.37472
4185.0000 -64.37695 -62.22634 2.15061 1.95031 -62.09722 610.78840
4190.0000 -63.72474 -61.54938 2.17536 1.97058 -61.91478 602.27376
4195.0000 -63.77902 -61.70716 2.07187 1.99507 -61.69433 656.58180
4200.0000 -64.55302 -62.44681 2.10621 1.94355 -62.15809 610.84470
4205.0000 -64.69213 -62.99661 1.69551 1.89443 -62.60012 554.01673
4210.0000 -63.40992 -61.09681 2.31310 1.93661 -62.22049 567.23929
4215.0000 -63.88687 -61.34008 2.54678 2.05106 -61.19050 693.78642
4220.0000 -63.77176 -61.33395 2.43780 2.03120 -61.36924 613.44705
4225.0000 -63.75299 -61.18025 2.57274 2.02924 -61.38687 676.48260
4230.0000 -63.83859 -61.03215 2.80644 2.06022 -61.10800 660.61004
4235.0000 -63.76891 -61.36614 2.40277 2.02006 -61.46944 660.70542
4240.0000 -64.27734 -61.82383 2.45352 2.02424 -61.43182 659.82186
4245.0000 -64.55516 -61.83966 2.71550 1.97223 -61.89993 630.26539
4250.0000 -64.21906 -61.93124 2.28782 1.97309 -61.89221 615.60558
FREEZING PROCESS: loop number 18 T-loop= 574.00000000000000
main_MD> interactions number 18 at Temperature= 574.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.04629 -2.20523 -2.34289
force_rgl> df(natom) 1.59661 -0.08086 -0.61173
4255.0000 -64.03923 -62.42105 1.61819 1.97695 -61.85747 618.47269
4260.0000 -64.33891 -62.31511 2.02381 1.91683 -62.39856 571.08714
4265.0000 -64.31348 -62.49094 1.82254 1.93417 -62.24244 568.23649
4270.0000 -63.84728 -62.15714 1.69014 1.92035 -62.36681 546.58925
4275.0000 -63.54024 -61.59757 1.94266 1.95610 -62.04514 550.34491
4280.0000 -64.17366 -61.71183 2.46183 1.98781 -61.75970 604.37108
4285.0000 -64.69390 -62.32308 2.37082 1.98500 -61.78504 681.42341
4290.0000 -64.73294 -63.17952 1.55341 1.91220 -62.44021 557.85978
4295.0000 -64.51722 -62.77696 1.74026 1.87266 -62.79604 530.74793
4300.0000 -64.43805 -62.52067 1.91738 1.89462 -62.59846 557.45324
4305.0000 -63.63048 -61.63494 1.99554 1.95790 -62.02889 620.60541
4310.0000 -63.83250 -61.19153 2.64098 2.04784 -61.21942 695.29754
4315.0000 -63.29038 -60.79583 2.49455 2.06286 -61.08424 708.45909
4320.0000 -63.36522 -60.58461 2.78061 2.14468 -60.34791 789.39023
4325.0000 -63.94688 -61.40642 2.54046 2.04829 -61.21537 697.54139
4330.0000 -64.91689 -61.97488 2.94201 2.02008 -61.46930 683.89056
4335.0000 -64.45050 -62.89466 1.55583 1.92406 -62.33343 606.51880
4340.0000 -64.68732 -62.65458 2.03273 1.88656 -62.67094 542.34709
4345.0000 -64.03505 -61.52497 2.51008 1.94725 -62.12473 605.22646
4350.0000 -63.92928 -61.19337 2.73591 2.00560 -61.59959 681.05837
4355.0000 -64.21402 -62.60913 1.60489 1.93165 -62.26516 611.39589
4360.0000 -63.77722 -61.57853 2.19869 1.94889 -62.11001 580.34093
4365.0000 -64.26561 -61.40469 2.86092 2.03308 -61.35232 671.68658
4370.0000 -64.26206 -62.67075 1.59132 1.95615 -62.04466 602.97830
4375.0000 -63.50667 -61.71524 1.79143 1.92594 -62.31654 570.25936
4380.0000 -63.87308 -62.01693 1.85614 1.98272 -61.80548 621.51877
4385.0000 -63.80110 -61.33782 2.46328 2.00649 -61.59163 639.68464
4390.0000 -64.00824 -61.54988 2.45836 2.01434 -61.52098 687.93270
4395.0000 -64.49916 -62.20457 2.29459 1.99746 -61.67287 661.34081
4400.0000 -64.56523 -62.13585 2.42938 1.95554 -62.05014 627.30143
4405.0000 -63.57232 -61.78525 1.78707 1.96763 -61.94136 644.14207
4410.0000 -64.29407 -62.28084 2.01323 1.94570 -62.13866 616.06452
4415.0000 -64.38700 -62.86450 1.52250 1.93233 -62.25904 604.33060
4420.0000 -64.18832 -62.68080 1.50752 1.90945 -62.46492 565.60323
4425.0000 -64.38777 -62.61731 1.77045 1.86227 -62.88958 487.07781
4430.0000 -64.17935 -61.66577 2.51358 1.93216 -62.26052 587.80762
4435.0000 -63.59188 -61.61082 1.98106 1.99486 -61.69630 607.38821
4440.0000 -64.37866 -62.23783 2.14083 1.96446 -61.96987 607.45663
4445.0000 -64.57393 -62.59455 1.97938 1.92551 -62.32044 578.45121
4450.0000 -64.18917 -62.01900 2.17018 1.92342 -62.33920 524.62440
4455.0000 -63.45688 -60.97054 2.48633 2.02148 -61.45669 634.54086
4460.0000 -64.33477 -62.16501 2.16977 1.99538 -61.69157 596.94785
4465.0000 -64.14321 -61.45127 2.69194 1.94286 -62.16426 580.72637
4470.0000 -64.18803 -62.15931 2.02872 1.97534 -61.87196 616.17084
4475.0000 -64.83863 -62.81720 2.02143 1.91255 -62.43708 561.87013
4480.0000 -65.16856 -63.40428 1.76429 1.84099 -63.08107 508.66435
4485.0000 -65.14049 -63.35467 1.78582 1.82870 -63.19166 484.24981
4490.0000 -64.90312 -62.96853 1.93459 1.83790 -63.10893 488.21071
4495.0000 -64.06879 -61.82705 2.24174 1.92346 -62.33884 577.15632
4500.0000 -63.89480 -61.91395 1.98085 1.97038 -61.91661 618.47098
FREEZING PROCESS: loop number 19 T-loop= 549.00000000000000
main_MD> interactions number 19 at Temperature= 549.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.93097 -0.27169 1.93824
force_rgl> df(natom) -3.13546 2.54409 -1.12464
4505.0000 -64.11514 -61.39736 2.71778 1.99921 -61.65710 642.45966
4510.0000 -64.26852 -62.08029 2.18823 1.97939 -61.83545 629.36487
4515.0000 -64.52115 -62.41635 2.10480 1.92399 -62.33408 585.42805
4520.0000 -64.42254 -62.84654 1.57600 1.91947 -62.37478 558.87754
4525.0000 -64.77370 -62.61911 2.15459 1.91002 -62.45978 540.06737
4530.0000 -64.21602 -62.05474 2.16128 1.95138 -62.08757 597.28614
4535.0000 -64.22036 -62.20225 2.01811 1.92745 -62.30299 594.00203
4540.0000 -64.85263 -63.16059 1.69204 1.88724 -62.66483 537.68652
4545.0000 -64.12047 -62.67048 1.44998 1.84673 -63.02947 500.25833
4550.0000 -64.30676 -62.81636 1.49040 1.88745 -62.66294 542.45048
4555.0000 -64.45675 -62.75934 1.69741 1.86803 -62.83775 521.34861
4560.0000 -64.33311 -62.63613 1.69698 1.88411 -62.69303 524.75528
4565.0000 -64.26828 -61.86662 2.40166 1.97581 -61.86769 607.46422
4570.0000 -64.89667 -63.52904 1.36763 1.89268 -62.61592 547.70965
4575.0000 -64.34269 -62.88656 1.45612 1.85019 -62.99825 492.19742
4580.0000 -64.36357 -62.51310 1.85047 1.87204 -62.80160 520.60873
4585.0000 -64.89883 -62.86605 2.03278 1.86986 -62.82125 528.94228
4590.0000 -64.34043 -61.96411 2.37631 1.94436 -62.15076 616.20976
4595.0000 -63.43092 -60.85603 2.57489 2.02327 -61.44058 685.48790
4600.0000 -64.09240 -62.16718 1.92521 1.99910 -61.65812 629.98832
4605.0000 -64.12009 -61.83504 2.28505 1.93891 -62.19978 590.86729
4610.0000 -63.95118 -61.59394 2.35724 2.01878 -61.48099 666.27267
4615.0000 -64.29400 -62.46486 1.82914 1.93983 -62.19156 551.28666
4620.0000 -64.39497 -62.22330 2.17167 1.92354 -62.33813 525.74328
4625.0000 -63.97074 -61.77012 2.20062 1.93797 -62.20823 582.05560
4630.0000 -64.25232 -62.11672 2.13560 1.94246 -62.16783 586.30560
4635.0000 -64.46428 -61.95325 2.51103 1.93550 -62.23046 605.67617
4640.0000 -64.26014 -62.32771 1.93244 1.96962 -61.92342 580.72136
4645.0000 -64.54205 -62.63347 1.90859 1.86391 -62.87481 506.10966
4650.0000 -64.41594 -62.92715 1.48879 1.89855 -62.56301 537.94726
4655.0000 -64.70946 -62.71584 1.99362 1.87618 -62.76434 511.64593
4660.0000 -64.48569 -62.41856 2.06713 1.91373 -62.42647 585.33676
4665.0000 -64.56546 -62.46350 2.10196 1.92243 -62.34812 544.88590
4670.0000 -64.97187 -63.25557 1.71630 1.84407 -63.05341 466.40739
4675.0000 -64.80603 -63.51857 1.28747 1.85246 -62.97784 511.54684
4680.0000 -63.83377 -61.72317 2.11061 1.88246 -62.70782 527.89393
4685.0000 -64.34032 -62.35545 1.98487 1.95711 -62.03597 603.57714
4690.0000 -64.78762 -63.51689 1.27073 1.86290 -62.88386 510.92214
4695.0000 -64.79321 -63.23622 1.55699 1.80031 -63.44721 440.98071
4700.0000 -65.00276 -63.14435 1.85841 1.83047 -63.17578 477.87945
4705.0000 -64.02047 -62.28968 1.73079 1.87062 -62.81442 498.64834
4710.0000 -64.11896 -62.17256 1.94639 1.93370 -62.24671 569.82508
4715.0000 -64.56407 -62.42831 2.13576 1.89380 -62.60580 546.60271
4720.0000 -64.78283 -62.96959 1.81325 1.88241 -62.70829 521.86443
4725.0000 -64.19782 -62.53738 1.66044 1.91945 -62.37491 580.05732
4730.0000 -63.79551 -61.92099 1.87452 1.93278 -62.25498 557.94946
4735.0000 -64.61154 -62.96881 1.64274 1.91609 -62.40522 580.62518
4740.0000 -65.01291 -63.26565 1.74726 1.81753 -63.29223 465.41249
4745.0000 -64.59321 -63.09943 1.49379 1.83713 -63.11579 499.94243
4750.0000 -64.91905 -62.85922 2.05983 1.87747 -62.75275 533.29441
FREEZING PROCESS: loop number 20 T-loop= 524.00000000000000
main_MD> interactions number 20 at Temperature= 524.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.42121 -0.14313 2.15736
force_rgl> df(natom) -0.20400 -1.16475 0.62670
4755.0000 -64.54186 -62.86994 1.67192 1.87117 -62.80943 515.57656
4760.0000 -65.01994 -63.33476 1.68518 1.83980 -63.09181 481.61746
4765.0000 -64.33685 -62.90169 1.43517 1.86896 -62.82934 518.67220
4770.0000 -64.04022 -62.06850 1.97173 1.92115 -62.35968 549.81759
4775.0000 -64.12033 -62.48609 1.63424 1.89327 -62.61056 561.27489
4780.0000 -64.25340 -62.27728 1.97612 1.91090 -62.45190 576.30219
4785.0000 -64.41780 -62.63897 1.77882 1.91860 -62.38263 572.07789
4790.0000 -65.02679 -62.76465 2.26214 1.89498 -62.59517 556.23375
4795.0000 -64.50446 -63.04191 1.46255 1.88793 -62.65863 547.71038
4800.0000 -64.58657 -62.64255 1.94402 1.85553 -62.95027 472.58869
4805.0000 -64.41846 -62.39064 2.02782 1.88464 -62.68828 524.99683
4810.0000 -64.74584 -62.60083 2.14501 1.87976 -62.73214 557.87245
4815.0000 -64.83125 -62.68312 2.14813 1.89802 -62.56783 560.13448
4820.0000 -64.92331 -62.95045 1.97286 1.87794 -62.74854 518.48860
4825.0000 -64.43184 -62.23122 2.20061 1.89190 -62.62288 550.52222
4830.0000 -64.14903 -62.30096 1.84807 1.89807 -62.56740 519.86605
4835.0000 -64.50199 -62.97658 1.52541 1.88580 -62.67784 509.43658
4840.0000 -64.57717 -62.49243 2.08474 1.88516 -62.68356 481.53670
4845.0000 -64.54191 -62.91780 1.62412 1.92365 -62.33714 557.99752
4850.0000 -64.48334 -62.70809 1.77525 1.91173 -62.44447 560.00814
4855.0000 -64.68381 -62.97591 1.70790 1.87968 -62.73286 512.75740
4860.0000 -65.19606 -63.59617 1.59989 1.81353 -63.32820 479.39376
4865.0000 -64.94176 -63.34747 1.59428 1.79620 -63.48417 455.06291
4870.0000 -64.63342 -63.07746 1.55596 1.81864 -63.28224 488.93755
4875.0000 -64.71752 -63.24105 1.47647 1.84969 -63.00281 499.54877
4880.0000 -65.43737 -63.65073 1.78664 1.81013 -63.35886 464.60889
4885.0000 -65.27722 -63.52475 1.75247 1.75568 -63.84891 404.30464
4890.0000 -64.89554 -63.35709 1.53844 1.82060 -63.26457 475.46826
4895.0000 -64.64098 -63.18770 1.45328 1.81982 -63.27166 454.03842
4900.0000 -63.88085 -62.54123 1.33963 1.86227 -62.88954 501.82547
4905.0000 -64.55757 -62.49984 2.05773 1.90818 -62.47640 555.05771
4910.0000 -65.25194 -63.53809 1.71385 1.85608 -62.94527 498.96258
4915.0000 -64.66142 -62.76692 1.89451 1.80343 -63.41911 451.75785
4920.0000 -64.64098 -63.23011 1.41087 1.86897 -62.82929 503.74650
4925.0000 -64.68523 -62.57660 2.10863 1.88859 -62.65269 549.38365
4930.0000 -64.73760 -62.65891 2.07869 1.90552 -62.50028 565.91290
4935.0000 -64.74324 -62.73644 2.00680 1.86845 -62.83392 539.42625
4940.0000 -64.69565 -63.30328 1.39237 1.84364 -63.05722 502.48040
4945.0000 -65.15974 -62.98358 2.17616 1.84024 -63.08785 471.53642
4950.0000 -64.33715 -62.87806 1.45909 1.81648 -63.30167 459.67598
4955.0000 -64.09530 -62.49034 1.60496 1.90854 -62.47311 562.88722
4960.0000 -64.37640 -62.59592 1.78048 1.91273 -62.43540 565.76338
4965.0000 -64.33135 -62.86639 1.46496 1.88600 -62.67600 529.21187
4970.0000 -64.41997 -62.43565 1.98432 1.88649 -62.67155 547.24402
4975.0000 -64.89494 -62.76227 2.13267 1.88053 -62.72525 516.40384
4980.0000 -63.88841 -61.36636 2.52205 1.91675 -62.39924 570.81819
4985.0000 -64.10777 -62.28872 1.81906 1.97400 -61.88403 624.11873
4990.0000 -64.66886 -62.76762 1.90124 1.89378 -62.60598 512.95067
4995.0000 -64.17990 -62.17720 2.00270 1.90337 -62.51966 532.42914
5000.0000 -63.75384 -62.01496 1.73889 1.95039 -62.09650 580.90746
FREEZING PROCESS: loop number 21 T-loop= 499.00000000000000
main_MD> interactions number 21 at Temperature= 499.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.28010 -0.76376 -0.82478
force_rgl> df(natom) 0.89023 -0.14731 -2.18046
5005.0000 -64.38358 -62.74181 1.64177 1.92604 -62.31562 567.35744
5010.0000 -65.10014 -63.02786 2.07228 1.84758 -63.02179 510.36309
5015.0000 -64.91180 -63.03869 1.87310 1.84729 -63.02438 502.73091
5020.0000 -64.61464 -62.68798 1.92666 1.86441 -62.87029 522.12417
5025.0000 -64.86050 -62.91821 1.94230 1.85428 -62.96146 514.55693
5030.0000 -64.64048 -62.64576 1.99471 1.85632 -62.94315 510.53668
5035.0000 -64.21294 -62.41529 1.79765 1.91879 -62.38089 573.31198
5040.0000 -64.73640 -63.33255 1.40386 1.87508 -62.77427 522.72102
5045.0000 -64.39352 -62.81647 1.57705 1.83089 -63.17195 465.64996
5050.0000 -64.71831 -62.56575 2.15255 1.83634 -63.12293 477.78161
5055.0000 -64.46420 -62.54592 1.91827 1.91492 -62.41572 576.16584
5060.0000 -64.35585 -62.85246 1.50339 1.86857 -62.83286 507.89940
5065.0000 -64.89462 -63.21506 1.67955 1.85014 -62.99877 486.48346
5070.0000 -64.46284 -62.67385 1.78899 1.88079 -62.72291 523.29412
5075.0000 -64.19325 -62.67222 1.52104 1.88348 -62.69872 535.13891
5080.0000 -64.70581 -62.77953 1.92628 1.86678 -62.84902 509.79882
5085.0000 -64.66794 -63.04453 1.62340 1.84943 -63.00509 517.74658
5090.0000 -64.50987 -63.03311 1.47676 1.82462 -63.22838 459.33145
5095.0000 -64.81072 -63.22099 1.58973 1.81635 -63.30284 450.98486
5100.0000 -64.60492 -62.86130 1.74362 1.86390 -62.87492 503.63535
5105.0000 -63.74282 -61.95433 1.78849 1.91630 -62.40328 578.37654
5110.0000 -64.80783 -63.14720 1.66063 1.88223 -62.70995 509.05692
5115.0000 -64.42957 -62.90806 1.52151 1.82453 -63.22925 463.26913
5120.0000 -64.45946 -62.92870 1.53077 1.87765 -62.75112 522.16294
5125.0000 -64.85698 -63.02625 1.83073 1.86326 -62.88070 534.46990
5130.0000 -64.58639 -62.97629 1.61009 1.86247 -62.88776 509.91513
5135.0000 -64.02574 -61.92309 2.10266 1.87580 -62.76776 486.08311
5140.0000 -64.91302 -62.48385 2.42917 1.92748 -62.30271 577.69996
5145.0000 -64.39665 -62.64542 1.75122 1.89675 -62.57928 551.97742
5150.0000 -64.48280 -62.67056 1.81224 1.88675 -62.66924 531.71108
5155.0000 -64.82587 -62.84473 1.98114 1.87127 -62.80857 519.95090
5160.0000 -64.34668 -62.70404 1.64264 1.85925 -62.91679 516.30672
5165.0000 -64.65403 -62.90249 1.75154 1.88666 -62.67003 532.94617
5170.0000 -64.50767 -62.54822 1.95944 1.86337 -62.87964 533.04091
5175.0000 -64.84786 -62.73889 2.10898 1.89275 -62.61524 578.07632
5180.0000 -64.94432 -62.75206 2.19226 1.88456 -62.68895 548.70116
5185.0000 -64.93227 -63.14595 1.78631 1.83556 -63.13000 472.41339
5190.0000 -65.06169 -63.08276 1.97894 1.81916 -63.27757 465.38423
5195.0000 -65.13027 -63.22352 1.90675 1.84418 -63.05234 494.32057
5200.0000 -64.23967 -62.54406 1.69561 1.84994 -63.00055 480.09912
5205.0000 -64.74795 -62.83005 1.91790 1.87857 -62.74291 521.69077
5210.0000 -64.50411 -62.89853 1.60558 1.84353 -63.05820 498.17263
5215.0000 -64.63523 -63.12315 1.51208 1.83493 -63.13560 472.76425
5220.0000 -64.36872 -62.59601 1.77271 1.87067 -62.81394 529.06066
5225.0000 -64.84910 -63.46404 1.38506 1.84806 -63.01750 495.28591
5230.0000 -65.02363 -63.47570 1.54793 1.81747 -63.29280 452.88964
5235.0000 -64.98345 -63.20050 1.78295 1.83200 -63.16201 469.65279
5240.0000 -65.10316 -63.39812 1.70504 1.82681 -63.20874 467.57721
5245.0000 -64.63120 -63.07546 1.55575 1.84843 -63.01414 491.35305
5250.0000 -65.10922 -63.09630 2.01292 1.86239 -62.88847 500.72803
FREEZING PROCESS: loop number 22 T-loop= 474.00000000000000
main_MD> interactions number 22 at Temperature= 474.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.70646 3.27720 -0.60802
force_rgl> df(natom) -1.84937 -1.46795 1.30587
5255.0000 -64.88023 -63.46854 1.41170 1.82426 -63.23169 453.35937
5260.0000 -64.77720 -62.71479 2.06241 1.84923 -63.00697 490.87022
5265.0000 -64.84742 -63.42633 1.42109 1.85156 -62.98600 490.97518
5270.0000 -65.18167 -63.90346 1.27822 1.80622 -63.39400 437.76419
5275.0000 -64.58544 -63.17385 1.41160 1.79231 -63.51924 409.38185
5280.0000 -65.22547 -63.94902 1.27645 1.77149 -63.70661 394.65774
5285.0000 -65.00713 -63.38744 1.61969 1.78060 -63.62462 428.63975
5290.0000 -64.76161 -63.10209 1.65953 1.81312 -63.33195 480.33959
5295.0000 -64.29173 -62.82760 1.46413 1.88413 -62.69282 498.09633
5300.0000 -64.88263 -63.05944 1.82319 1.86143 -62.89709 487.66003
5305.0000 -64.69458 -63.49290 1.20168 1.82144 -63.25701 463.49308
5310.0000 -65.10239 -63.94544 1.15694 1.79814 -63.46674 444.16633
5315.0000 -64.95690 -63.54517 1.41173 1.74558 -63.93981 387.74396
5320.0000 -65.03575 -63.35490 1.68085 1.81811 -63.28705 467.45383
5325.0000 -64.92552 -63.19817 1.72735 1.79405 -63.50357 429.07670
5330.0000 -65.01960 -63.43988 1.57971 1.81733 -63.29403 455.42274
5335.0000 -64.97804 -63.28531 1.69273 1.81115 -63.34965 465.22080
5340.0000 -65.01957 -63.31347 1.70610 1.83783 -63.10956 486.30253
5345.0000 -64.59009 -62.57329 2.01679 1.83719 -63.11532 487.45518
5350.0000 -65.03291 -62.89166 2.14125 1.86081 -62.90274 504.29450
5355.0000 -64.27046 -62.76186 1.50860 1.87449 -62.77960 511.53312
5360.0000 -64.58381 -62.86223 1.72159 1.85709 -62.93619 491.81366
5365.0000 -65.10080 -62.82464 2.27616 1.88528 -62.68250 532.29173
5370.0000 -64.92949 -63.34826 1.58123 1.83539 -63.13145 487.09572
5375.0000 -65.01860 -63.69985 1.31875 1.76909 -63.72821 414.08075
5380.0000 -65.06911 -63.61975 1.44936 1.78671 -63.56959 423.24464
5385.0000 -64.90659 -63.41455 1.49204 1.78674 -63.56932 426.88471
5390.0000 -64.59077 -63.02702 1.56375 1.79768 -63.47090 426.88456
5395.0000 -65.11872 -63.54310 1.57562 1.80036 -63.44672 445.08495
5400.0000 -64.58975 -63.06352 1.52624 1.82192 -63.25276 477.00091
5405.0000 -64.74207 -62.97150 1.77058 1.85667 -62.93996 512.85671
5410.0000 -65.02553 -63.37640 1.64914 1.82555 -63.22007 465.66751
5415.0000 -64.21456 -62.33701 1.87756 1.86718 -62.84541 510.28930
5420.0000 -64.50797 -62.93079 1.57718 1.89476 -62.59720 538.24932
5425.0000 -65.07598 -63.18265 1.89333 1.79458 -63.49879 420.43717
5430.0000 -64.79789 -63.00530 1.79259 1.83742 -63.11326 490.20941
5435.0000 -65.40713 -63.90517 1.50196 1.78420 -63.59217 414.57126
5440.0000 -64.45188 -62.82547 1.62640 1.83318 -63.15136 495.20173
5445.0000 -64.05073 -62.93570 1.11502 1.89576 -62.58819 560.09294
5450.0000 -64.89648 -62.94859 1.94789 1.85813 -62.92685 503.66816
5455.0000 -64.78521 -63.06939 1.71582 1.87676 -62.75917 525.22462
5460.0000 -64.95091 -62.98276 1.96815 1.81707 -63.29641 436.79567
5465.0000 -64.67904 -63.16099 1.51805 1.87187 -62.80315 518.22571
5470.0000 -65.19735 -63.36751 1.82983 1.82854 -63.19310 481.16287
5475.0000 -64.87950 -63.30864 1.57086 1.82783 -63.19956 482.72065
5480.0000 -65.07715 -63.04510 2.03205 1.80897 -63.36925 443.57136
5485.0000 -63.96957 -62.39854 1.57103 1.87346 -62.78887 497.95132
5490.0000 -64.40391 -62.92242 1.48149 1.85829 -62.92537 483.27031
5495.0000 -64.37821 -63.25905 1.11916 1.82371 -63.23665 474.07557
5500.0000 -64.66936 -62.99693 1.67243 1.81065 -63.35412 447.81267
FREEZING PROCESS: loop number 23 T-loop= 449.00000000000000
main_MD> interactions number 23 at Temperature= 449.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.72779 2.04168 -0.34168
force_rgl> df(natom) 1.62885 2.26853 1.95901
5505.0000 -64.77164 -63.08065 1.69099 1.87802 -62.74779 538.36854
5510.0000 -64.68869 -63.28584 1.40285 1.83919 -63.09729 475.56761
5515.0000 -64.74549 -63.06605 1.67944 1.82268 -63.24587 455.27872
5520.0000 -64.54087 -63.02202 1.51885 1.83233 -63.15900 473.21329
5525.0000 -64.45178 -62.79454 1.65723 1.83657 -63.12086 494.52165
5530.0000 -64.65832 -63.19026 1.46806 1.85955 -62.91405 513.79000
5535.0000 -65.10771 -63.56733 1.54038 1.79674 -63.47933 424.64542
5540.0000 -64.84916 -62.72121 2.12796 1.83525 -63.13276 461.90327
5545.0000 -64.59180 -62.82961 1.76219 1.89361 -62.60747 531.69178
5550.0000 -65.07244 -63.03266 2.03978 1.84320 -63.06117 481.63641
5555.0000 -64.45389 -62.74052 1.71337 1.84985 -63.00138 503.54228
5560.0000 -65.05755 -63.53029 1.52726 1.88476 -62.68713 542.62464
5565.0000 -64.74601 -63.26664 1.47937 1.79463 -63.49831 446.28109
5570.0000 -64.88885 -63.47142 1.41742 1.78714 -63.56575 426.99937
5575.0000 -65.21437 -63.61609 1.59828 1.77943 -63.63512 417.12985
5580.0000 -64.63324 -63.47887 1.15436 1.78859 -63.55273 428.45789
5585.0000 -65.37490 -63.49829 1.87661 1.79440 -63.50036 433.28657
5590.0000 -64.86006 -63.28750 1.57256 1.77992 -63.63076 420.18731
5595.0000 -65.02162 -64.02461 0.99702 1.78116 -63.61955 425.93028
5600.0000 -64.82634 -62.99261 1.83373 1.81395 -63.32444 474.53137
5605.0000 -64.91254 -63.26596 1.64657 1.84412 -63.05289 489.02890
5610.0000 -65.09469 -63.70768 1.38701 1.78772 -63.56056 424.01998
5615.0000 -64.63270 -62.76719 1.86551 1.82753 -63.20221 449.92720
5620.0000 -64.71472 -63.16692 1.54780 1.81044 -63.35605 458.95297
5625.0000 -64.87225 -63.62583 1.24642 1.80922 -63.36703 462.44621
5630.0000 -64.65863 -63.16168 1.49695 1.79265 -63.51618 432.67365
5635.0000 -65.03821 -63.21225 1.82596 1.81415 -63.32264 475.08920
5640.0000 -64.68078 -63.00083 1.67995 1.80356 -63.41796 431.29274
5645.0000 -64.54533 -62.73074 1.81459 1.84399 -63.05410 465.62928
5650.0000 -64.36029 -63.01460 1.34569 1.85826 -62.92570 478.17929
5655.0000 -64.34680 -62.56998 1.77682 1.87693 -62.75763 519.50048
5660.0000 -65.04077 -63.03568 2.00509 1.85470 -62.95767 483.62688
5665.0000 -65.35749 -63.11863 2.23886 1.83626 -63.12367 491.96963
5670.0000 -64.95682 -63.41630 1.54052 1.80122 -63.43903 444.33456
5675.0000 -64.85830 -63.24806 1.61024 1.84288 -63.06411 487.18387
5680.0000 -65.42772 -63.86048 1.56724 1.80351 -63.41844 441.67501
5685.0000 -65.29479 -63.54868 1.74610 1.79198 -63.52218 418.93915
5690.0000 -64.87619 -63.38332 1.49287 1.77715 -63.65568 417.84289
5695.0000 -65.33003 -63.71023 1.61981 1.78971 -63.54263 439.66943
5700.0000 -65.08867 -63.70761 1.38105 1.77583 -63.66755 418.48534
5705.0000 -64.71399 -63.36337 1.35063 1.79026 -63.53770 421.82240
5710.0000 -64.55642 -63.02722 1.52920 1.81608 -63.30526 442.62289
5715.0000 -64.68828 -63.27691 1.41137 1.82025 -63.26771 456.51045
5720.0000 -64.69262 -62.72292 1.96969 1.85031 -62.99724 477.29721
5725.0000 -64.62693 -62.94959 1.67734 1.84387 -63.05518 471.06353
5730.0000 -65.08770 -63.55657 1.53113 1.79994 -63.45053 415.89527
5735.0000 -65.20287 -63.60402 1.59885 1.79369 -63.50676 427.89992
5740.0000 -65.38095 -63.89912 1.48183 1.76434 -63.77092 400.33957
5745.0000 -65.35011 -64.00687 1.34324 1.76950 -63.72447 407.81522
5750.0000 -64.49269 -63.01556 1.47713 1.81077 -63.35311 458.57559
FREEZING PROCESS: loop number 24 T-loop= 424.00000000000000
main_MD> interactions number 24 at Temperature= 424.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.26993 1.90435 0.27272
force_rgl> df(natom) 1.15020 -1.90109 -0.42624
5755.0000 -65.07673 -63.13975 1.93698 1.83979 -63.09186 479.70424
5760.0000 -65.21782 -63.79087 1.42695 1.84200 -63.07196 467.90942
5765.0000 -65.23339 -63.70712 1.52627 1.77570 -63.66869 411.92538
5770.0000 -65.17916 -63.86377 1.31539 1.73632 -64.02311 371.79626
5775.0000 -65.18884 -63.93853 1.25031 1.76405 -63.77357 380.33953
5780.0000 -65.50979 -63.98779 1.52200 1.74091 -63.98181 380.74098
5785.0000 -65.32212 -64.00326 1.31886 1.74328 -63.96052 376.23722
5790.0000 -64.89150 -63.74176 1.14975 1.77391 -63.68481 407.33127
5795.0000 -65.18565 -63.93275 1.25289 1.76025 -63.80773 383.79619
5800.0000 -65.05223 -63.42431 1.62792 1.81979 -63.27193 468.21811
5805.0000 -65.11499 -63.76449 1.35050 1.81466 -63.31810 458.96937
5810.0000 -65.29179 -63.46397 1.82782 1.78344 -63.59900 430.68820
5815.0000 -64.72392 -63.17625 1.54767 1.79245 -63.51795 432.55292
5820.0000 -64.93231 -63.38462 1.54769 1.83025 -63.17773 488.06363
5825.0000 -65.52496 -64.12863 1.39633 1.73979 -63.99193 373.56234
5830.0000 -65.13473 -63.07916 2.05557 1.78796 -63.55836 441.62348
5835.0000 -65.39066 -64.00418 1.38648 1.79368 -63.50690 427.62497
5840.0000 -65.18932 -63.92995 1.25937 1.73943 -63.99509 384.29912
5845.0000 -65.21958 -63.75892 1.46066 1.76626 -63.75362 418.49709
5850.0000 -65.32282 -63.68089 1.64193 1.74618 -63.93439 383.91941
5855.0000 -65.27856 -63.43493 1.84363 1.81395 -63.32442 469.85677
5860.0000 -65.46215 -64.03910 1.42305 1.77812 -63.64692 418.37645
5865.0000 -65.06143 -63.86795 1.19348 1.73605 -64.02553 367.02904
5870.0000 -65.42312 -63.62778 1.79534 1.80245 -63.42794 437.22803
5875.0000 -65.50626 -64.09732 1.40894 1.77741 -63.65331 426.48371
5880.0000 -64.98635 -63.59561 1.39074 1.74410 -63.95314 385.58084
5885.0000 -64.38861 -63.19583 1.19279 1.82782 -63.19960 455.14621
5890.0000 -64.23183 -62.52172 1.71011 1.86374 -62.87631 485.46241
5895.0000 -65.15592 -63.84275 1.31317 1.85714 -62.93572 474.19598
5900.0000 -65.33075 -63.98582 1.34493 1.75665 -63.84016 410.21406
5905.0000 -65.31321 -64.17728 1.13593 1.73698 -64.01716 364.68732
5910.0000 -65.36453 -63.84163 1.52290 1.73463 -64.03832 369.36236
5915.0000 -64.82523 -63.66948 1.15575 1.77451 -63.67945 419.67744
5920.0000 -65.05573 -63.15381 1.90191 1.77465 -63.67814 403.70912
5925.0000 -64.34771 -62.90776 1.43995 1.84905 -63.00856 494.22525
5930.0000 -64.28962 -62.72691 1.56272 1.85074 -62.99334 442.59476
5935.0000 -64.73141 -63.26280 1.46862 1.87663 -62.76037 502.30232
5940.0000 -65.24769 -62.90380 2.34389 1.83327 -63.15054 451.66898
5945.0000 -64.39731 -62.78567 1.61165 1.84343 -63.05914 483.45111
5950.0000 -65.07603 -63.45179 1.62424 1.84436 -63.05075 477.66838
5955.0000 -65.01561 -63.84914 1.16646 1.79078 -63.53300 427.75581
5960.0000 -65.32513 -63.86750 1.45763 1.73645 -64.02193 364.19519
5965.0000 -65.26093 -63.41577 1.84516 1.79426 -63.50162 437.78217
5970.0000 -64.91886 -63.54686 1.37200 1.78477 -63.58710 412.96070
5975.0000 -65.23801 -63.82558 1.41243 1.77717 -63.65548 422.42478
5980.0000 -65.25284 -63.83615 1.41668 1.75218 -63.88042 394.34202
5985.0000 -65.39307 -64.04494 1.34813 1.73316 -64.05152 364.42794
5990.0000 -65.14107 -63.41922 1.72185 1.76620 -63.75420 405.94367
5995.0000 -64.79478 -63.07840 1.71638 1.81539 -63.31152 457.09228
6000.0000 -64.89384 -63.16113 1.73270 1.81511 -63.31402 468.05758
FREEZING PROCESS: loop number 25 T-loop= 399.00000000000000
main_MD> interactions number 25 at Temperature= 399.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.13471 3.64782 2.03085
force_rgl> df(natom) -1.57343 0.62296 3.03152
6005.0000 -65.36974 -63.88582 1.48392 1.78048 -63.62567 423.71739
6010.0000 -65.38585 -64.18167 1.20418 1.72921 -64.08707 361.95040
6015.0000 -64.92581 -63.85015 1.07566 1.73505 -64.03457 360.14470
6020.0000 -65.29125 -63.94438 1.34686 1.76641 -63.75234 401.04184
6025.0000 -64.52859 -63.26414 1.26445 1.79372 -63.50652 425.31467
6030.0000 -64.58622 -62.90318 1.68305 1.83349 -63.14862 470.09464
6035.0000 -65.20397 -63.56241 1.64157 1.83215 -63.16066 449.70308
6040.0000 -65.13091 -63.86794 1.26297 1.76539 -63.76146 389.07825
6045.0000 -65.27072 -63.94803 1.32268 1.75041 -63.89629 388.98687
6050.0000 -65.40819 -64.07952 1.32867 1.74402 -63.95385 377.24140
6055.0000 -65.29477 -63.83751 1.45727 1.75736 -63.83374 383.15373
6060.0000 -65.32451 -63.93273 1.39178 1.75409 -63.86322 399.78942
6065.0000 -65.25980 -64.05026 1.20954 1.74522 -63.94303 380.18419
6070.0000 -65.39366 -63.80119 1.59247 1.72861 -64.09250 364.27847
6075.0000 -65.05741 -63.55426 1.50315 1.80175 -63.43422 442.64862
6080.0000 -65.16177 -63.76181 1.39996 1.76709 -63.74620 409.84446
6085.0000 -65.55088 -64.20638 1.34450 1.76839 -63.73449 418.75530
6090.0000 -65.48863 -64.12640 1.36223 1.72606 -64.11544 360.25432
6095.0000 -65.30373 -64.01969 1.28404 1.72473 -64.12746 361.21273
6100.0000 -64.62387 -63.64011 0.98376 1.77091 -63.71177 427.55695
6105.0000 -65.02849 -63.43079 1.59770 1.79793 -63.46861 418.17990
6110.0000 -65.25023 -63.64938 1.60085 1.79070 -63.53367 436.44297
6115.0000 -65.26142 -63.58270 1.67871 1.79840 -63.46439 454.35581
6120.0000 -65.38348 -63.43127 1.95221 1.77571 -63.66864 405.53799
6125.0000 -65.17793 -64.01260 1.16533 1.74648 -63.93167 370.36253
6130.0000 -65.26365 -63.90038 1.36327 1.76481 -63.76670 392.00675
6135.0000 -65.37632 -63.84815 1.52817 1.73195 -64.06246 370.93796
6140.0000 -64.94379 -63.59515 1.34864 1.76736 -63.74377 408.60685
6145.0000 -65.26215 -63.56731 1.69485 1.76696 -63.74732 405.00733
6150.0000 -64.98165 -63.46920 1.51245 1.78308 -63.60232 431.06266
6155.0000 -64.81318 -63.75614 1.05704 1.78172 -63.61454 428.73826
6160.0000 -65.42044 -63.91715 1.50329 1.76160 -63.79559 404.81996
6165.0000 -65.18450 -63.53109 1.65341 1.74849 -63.91359 388.03830
6170.0000 -64.76210 -63.43792 1.32418 1.77412 -63.68294 405.76455
6175.0000 -65.20658 -63.84851 1.35808 1.77472 -63.67754 396.63530
6180.0000 -65.43102 -63.98842 1.44260 1.73841 -64.00429 374.15792
6185.0000 -65.40228 -64.21213 1.19015 1.73533 -64.03202 374.93650
6190.0000 -65.24547 -64.12143 1.12404 1.72007 -64.16941 349.65965
6195.0000 -65.24593 -64.02060 1.22533 1.71732 -64.19414 349.55052
6200.0000 -65.13756 -63.88291 1.25465 1.74198 -63.97217 371.91059
6205.0000 -65.11182 -63.74394 1.36787 1.75269 -63.87581 381.54161
6210.0000 -65.53582 -64.38573 1.15010 1.69152 -64.42633 320.88606
6215.0000 -65.29906 -63.92890 1.37016 1.73396 -64.04433 361.98865
6220.0000 -65.32994 -64.36197 0.96797 1.73459 -64.03868 368.28164
6225.0000 -65.46549 -64.06283 1.40267 1.69869 -64.36181 337.04240
6230.0000 -65.16173 -63.87970 1.28203 1.74185 -63.97333 386.75558
6235.0000 -64.68663 -63.25846 1.42816 1.80248 -63.42765 458.54837
6240.0000 -65.23616 -63.54683 1.68934 1.78373 -63.59644 427.26588
6245.0000 -65.30689 -63.89060 1.41629 1.79084 -63.53248 439.66844
6250.0000 -65.27412 -64.28716 0.98697 1.75225 -63.87972 386.83303
FREEZING PROCESS: loop number 26 T-loop= 374.00000000000000
main_MD> interactions number 26 at Temperature= 374.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.46147 0.49633 0.18159
force_rgl> df(natom) 0.64640 -1.82091 0.79767
6255.0000 -65.28229 -63.97046 1.31183 1.74373 -63.95643 380.83295
6260.0000 -65.55717 -64.05932 1.49785 1.71100 -64.25100 345.46257
6265.0000 -65.13401 -63.82096 1.31305 1.75342 -63.86922 376.98324
6270.0000 -64.93291 -63.78176 1.15115 1.78018 -63.62837 384.16494
6275.0000 -65.01954 -63.82377 1.19577 1.76953 -63.72420 416.07776
6280.0000 -65.70188 -64.61259 1.08929 1.76444 -63.77000 415.14671
6285.0000 -65.36559 -64.02929 1.33631 1.69217 -64.42049 322.57244
6290.0000 -65.46177 -64.28512 1.17666 1.72784 -64.09945 370.92876
6295.0000 -65.35312 -64.11128 1.24184 1.72342 -64.13924 362.28434
6300.0000 -65.28242 -63.86402 1.41840 1.73715 -64.01563 368.71008
6305.0000 -64.73585 -63.39836 1.33750 1.77080 -63.71284 409.35799
6310.0000 -64.98599 -63.73635 1.24964 1.79033 -63.53699 432.19488
6315.0000 -65.35955 -64.03289 1.32666 1.74328 -63.96048 385.47132
6320.0000 -65.49695 -64.28664 1.21031 1.72616 -64.11456 363.99832
6325.0000 -65.72225 -64.55340 1.16885 1.68447 -64.48981 320.44165
6330.0000 -65.56826 -64.21317 1.35510 1.71829 -64.18540 356.86775
6335.0000 -65.20766 -64.30292 0.90474 1.71721 -64.19511 356.47398
6340.0000 -65.18824 -63.74806 1.44018 1.73604 -64.02564 387.54115
6345.0000 -65.28017 -63.76977 1.51040 1.76633 -63.75304 409.61254
6350.0000 -64.65266 -63.44570 1.20696 1.77963 -63.63330 392.75499
6355.0000 -65.19203 -63.89830 1.29373 1.77203 -63.70172 392.95478
6360.0000 -64.94768 -63.42245 1.52523 1.77076 -63.71319 393.85943
6365.0000 -65.38335 -63.43092 1.95243 1.80078 -63.44298 430.41835
6370.0000 -65.01441 -63.78839 1.22602 1.78509 -63.58417 413.01832
6375.0000 -65.40566 -64.26214 1.14352 1.72993 -64.08065 359.96695
6380.0000 -65.11635 -63.82722 1.28913 1.74002 -63.98985 376.11551
6385.0000 -65.46472 -64.28784 1.17688 1.74247 -63.96773 388.47554
6390.0000 -65.47596 -64.24816 1.22780 1.70098 -64.34118 333.82082
6395.0000 -65.60737 -64.41989 1.18748 1.70583 -64.29756 340.63067
6400.0000 -65.30684 -63.99595 1.31089 1.72666 -64.11003 366.99057
6405.0000 -65.02220 -63.23112 1.79108 1.77295 -63.69344 411.22908
6410.0000 -65.05944 -63.48006 1.57938 1.79869 -63.46177 445.00919
6415.0000 -65.54014 -64.37349 1.16665 1.75289 -63.87403 387.87132
6420.0000 -65.57275 -64.03825 1.53451 1.69824 -64.36583 331.48380
6425.0000 -65.28212 -63.71633 1.56579 1.75906 -63.81850 388.28553
6430.0000 -65.37869 -64.09426 1.28443 1.76386 -63.77522 399.46591
6435.0000 -65.32465 -63.82993 1.49471 1.76840 -63.73442 410.28179
6440.0000 -65.09299 -64.03633 1.05665 1.75889 -63.81997 393.74693
6445.0000 -65.46322 -64.18556 1.27766 1.70915 -64.26763 324.87875
6450.0000 -65.48929 -63.87375 1.61554 1.73396 -64.04437 369.48320
6455.0000 -65.49151 -63.72312 1.76839 1.76286 -63.78424 391.44847
6460.0000 -65.48867 -64.36148 1.12719 1.74330 -63.96027 381.82930
6465.0000 -65.51389 -64.13051 1.38338 1.71341 -64.22935 340.80375
6470.0000 -65.54179 -64.34859 1.19319 1.72781 -64.09971 365.19304
6475.0000 -65.36922 -63.88732 1.48190 1.71796 -64.18836 356.73494
6480.0000 -65.29684 -63.98535 1.31150 1.75177 -63.88403 400.40578
6485.0000 -65.24139 -64.10037 1.14103 1.71321 -64.23108 349.83778
6490.0000 -65.05742 -63.74069 1.31673 1.74740 -63.92337 386.75151
6495.0000 -65.33272 -64.12241 1.21031 1.72570 -64.11867 354.32484
6500.0000 -65.06620 -63.92975 1.13645 1.73795 -64.00844 364.49672
FREEZING PROCESS: loop number 27 T-loop= 349.00000000000000
main_MD> interactions number 27 at Temperature= 349.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.45076 1.30122 1.15975
force_rgl> df(natom) -1.26474 -1.54716 1.49188
6505.0000 -64.64824 -63.65254 0.99571 1.77038 -63.71655 402.70826
6510.0000 -65.45826 -64.07594 1.38231 1.73649 -64.02157 370.83346
6515.0000 -65.38349 -64.18728 1.19622 1.70799 -64.27805 342.93929
6520.0000 -65.66396 -64.46816 1.19580 1.69274 -64.41535 320.94954
6525.0000 -65.51027 -64.36722 1.14305 1.69669 -64.37977 320.90458
6530.0000 -65.25353 -64.20773 1.04580 1.69112 -64.42988 318.80888
6535.0000 -65.36169 -64.17716 1.18453 1.74978 -63.90197 389.09429
6540.0000 -65.70106 -64.48594 1.21511 1.73712 -64.01590 383.46058
6545.0000 -65.37047 -64.16795 1.20252 1.71449 -64.21958 344.17825
6550.0000 -65.00051 -63.51501 1.48550 1.75877 -63.82108 387.27627
6555.0000 -65.20428 -64.23800 0.96627 1.72163 -64.15532 347.87632
6560.0000 -65.11306 -63.99180 1.12126 1.72079 -64.16293 345.25635
6565.0000 -65.16568 -63.79209 1.37358 1.74243 -63.96812 367.69537
6570.0000 -65.39131 -63.77520 1.61610 1.74326 -63.96065 380.48875
6575.0000 -65.41851 -64.44856 0.96995 1.71876 -64.18118 356.82795
6580.0000 -65.49139 -64.50119 0.99020 1.72223 -64.14994 366.19939
6585.0000 -65.43224 -64.27429 1.15795 1.71967 -64.17296 349.10533
6590.0000 -65.42964 -64.01766 1.41198 1.71482 -64.21665 331.68764
6595.0000 -65.37087 -64.17358 1.19729 1.73978 -63.99194 374.11675
6600.0000 -65.52631 -64.32485 1.20145 1.71640 -64.20237 344.46278
6605.0000 -65.54052 -64.23767 1.30285 1.69293 -64.41359 326.10558
6610.0000 -65.59768 -64.26347 1.33421 1.71798 -64.18817 343.35732
6615.0000 -65.08064 -63.77472 1.30593 1.72953 -64.08419 364.58849
6620.0000 -65.31591 -64.09355 1.22236 1.74038 -63.98654 365.83715
6625.0000 -65.69276 -64.14594 1.54682 1.73393 -64.04465 369.45692
6630.0000 -65.15391 -63.17458 1.97933 1.79935 -63.45587 452.88379
6635.0000 -65.69330 -63.85354 1.83976 1.78719 -63.56533 434.33367
6640.0000 -65.39477 -64.32999 1.06478 1.73699 -64.01710 368.13632
6645.0000 -65.63366 -64.42040 1.21326 1.70564 -64.29927 332.41175
6650.0000 -65.53912 -64.22108 1.31804 1.68710 -64.46612 312.15898
6655.0000 -65.54607 -64.40102 1.14506 1.70403 -64.31375 326.46447
6660.0000 -65.20989 -64.09472 1.11516 1.71021 -64.25813 339.38923
6665.0000 -65.26509 -63.96153 1.30356 1.72365 -64.13713 351.59420
6670.0000 -65.49872 -64.15658 1.34214 1.72786 -64.09928 356.08100
6675.0000 -65.75918 -64.49897 1.26021 1.69430 -64.40132 326.22709
6680.0000 -65.39613 -64.21306 1.18307 1.70101 -64.34088 334.94901
6685.0000 -65.21095 -64.07400 1.13695 1.70677 -64.28911 350.05408
6690.0000 -65.34781 -63.69619 1.65162 1.73152 -64.06631 372.57582
6695.0000 -65.49048 -64.16102 1.32947 1.75570 -63.84867 395.54109
6700.0000 -65.66103 -64.40378 1.25725 1.71033 -64.25703 338.98442
6705.0000 -65.42254 -64.16791 1.25463 1.70167 -64.33495 332.78946
6710.0000 -65.44865 -64.17343 1.27521 1.71908 -64.17831 348.49765
6715.0000 -65.44147 -64.51964 0.92183 1.70616 -64.29454 336.94890
6720.0000 -65.59112 -64.19072 1.40039 1.68732 -64.46410 319.07703
6725.0000 -65.38292 -64.25061 1.13230 1.71735 -64.19385 345.11692
6730.0000 -65.45291 -64.20946 1.24345 1.71546 -64.21090 347.48379
6735.0000 -65.50471 -64.13411 1.37061 1.70070 -64.34373 337.18848
6740.0000 -65.51904 -64.52856 0.99048 1.70726 -64.28468 338.07251
6745.0000 -65.65032 -64.41862 1.23170 1.68605 -64.47552 309.08458
6750.0000 -65.47330 -64.12460 1.34870 1.71283 -64.23451 345.48159
FREEZING PROCESS: loop number 28 T-loop= 324.00000000000000
main_MD> interactions number 28 at Temperature= 324.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.11169 1.36472 0.97507
force_rgl> df(natom) 2.30021 1.46338 -2.97351
6755.0000 -65.23365 -64.04212 1.19153 1.73889 -64.00002 376.30291
6760.0000 -65.43296 -64.38453 1.04843 1.72806 -64.09749 360.77394
6765.0000 -65.31125 -64.42635 0.88490 1.69976 -64.35220 310.42015
6770.0000 -65.44928 -64.28136 1.16792 1.69120 -64.42921 291.75565
6775.0000 -65.06115 -64.04835 1.01280 1.71187 -64.24321 322.13378
6780.0000 -65.24671 -64.20898 1.03773 1.69868 -64.36185 306.19251
6785.0000 -65.28014 -64.09766 1.18248 1.72335 -64.13985 340.67381
6790.0000 -65.31372 -64.23754 1.07618 1.73186 -64.06325 352.63538
6795.0000 -65.68492 -64.78321 0.90171 1.68259 -64.50671 277.53736
6800.0000 -65.08332 -64.34787 0.73546 1.68972 -64.44252 309.90848
6805.0000 -65.07543 -63.61112 1.46431 1.75695 -63.83744 389.80421
6810.0000 -65.36279 -64.22234 1.14046 1.74711 -63.92600 373.56842
6815.0000 -65.41501 -64.26674 1.14827 1.70190 -64.33286 332.34721
6820.0000 -65.10167 -63.78100 1.32067 1.74751 -63.92240 373.90983
6825.0000 -65.43175 -64.45496 0.97680 1.73228 -64.05949 369.74347
6830.0000 -65.54810 -64.60627 0.94183 1.68451 -64.48939 305.98333
6835.0000 -65.45123 -64.57685 0.87438 1.67160 -64.60561 293.52073
6840.0000 -65.60552 -64.35740 1.24813 1.69781 -64.36973 329.12433
6845.0000 -65.33648 -64.18000 1.15649 1.70352 -64.31832 341.96937
6850.0000 -65.26049 -63.72961 1.53087 1.72306 -64.14247 348.00923
6855.0000 -65.57834 -64.76680 0.81155 1.69500 -64.39498 320.41519
6860.0000 -65.43956 -63.98194 1.45762 1.69716 -64.37556 334.63803
6865.0000 -65.48507 -64.26087 1.22420 1.70847 -64.27378 339.41866
6870.0000 -65.49510 -64.40620 1.08890 1.68653 -64.47122 319.73567
6875.0000 -65.67558 -64.49770 1.17788 1.70419 -64.31233 335.55513
6880.0000 -65.37580 -64.38239 0.99341 1.69975 -64.35221 322.46399
6885.0000 -65.70520 -64.49755 1.20765 1.71681 -64.19867 335.24335
6890.0000 -65.43695 -64.53434 0.90261 1.70435 -64.31087 332.39174
6895.0000 -65.62197 -64.29601 1.32596 1.70504 -64.30461 328.52331
6900.0000 -65.67391 -64.63987 1.03405 1.67133 -64.60804 295.59447
6905.0000 -65.67636 -64.57899 1.09737 1.66536 -64.66180 286.67865
6910.0000 -65.35547 -64.23700 1.11847 1.71020 -64.25821 336.52005
6915.0000 -65.47848 -64.21935 1.25913 1.71493 -64.21561 336.74300
6920.0000 -65.16968 -64.03139 1.13829 1.73596 -64.02632 371.18344
6925.0000 -65.40123 -64.22752 1.17371 1.72053 -64.16521 352.68634
6930.0000 -65.29293 -63.86534 1.42759 1.74653 -63.93125 392.04668
6935.0000 -65.24124 -64.08982 1.15142 1.74749 -63.92262 397.09762
6940.0000 -65.47363 -64.30948 1.16414 1.71426 -64.22165 349.76345
6945.0000 -65.56459 -64.50261 1.06199 1.69630 -64.38333 323.82649
6950.0000 -65.75635 -64.74149 1.01486 1.66020 -64.70819 279.82045
6955.0000 -65.83605 -64.59606 1.23998 1.64497 -64.84529 261.75211
6960.0000 -65.67730 -64.51474 1.16255 1.65648 -64.74172 273.25828
6965.0000 -65.53085 -64.28888 1.24197 1.69967 -64.35300 323.92907
6970.0000 -65.47863 -64.37992 1.09871 1.70255 -64.32701 334.17696
6975.0000 -65.49341 -64.55269 0.94071 1.70610 -64.29512 340.96213
6980.0000 -65.50437 -64.67169 0.83269 1.68828 -64.45552 313.19647
6985.0000 -65.54912 -64.38415 1.16497 1.69210 -64.42111 311.95858
6990.0000 -65.61371 -64.48838 1.12533 1.68113 -64.51987 298.40144
6995.0000 -65.46258 -64.29157 1.17101 1.69387 -64.40517 309.06971
7000.0000 -65.11107 -64.15618 0.95490 1.72333 -64.13999 343.41065
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 4 [min], 1.0683648 [s].
main_MD> Deallocating global variables
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